# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T14:39:43+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 18 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
"1000041","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sodium chloride","","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Abrahams, S C; Bernstein, J L","Accuracy of an automatic diffractometer. measurement of the sodium chloride structure factors","Acta Crystallographica (1,1948-23,1967)","1965","18","","926","932","10.1107/S0365110X65002244","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000200","9.604","0.004","8.379","0.004","7.542","0.002","90","","90","","90","","606.9","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","DIRUBIDIUM ALUMINIUM PENTAFLUORIDE MONOHYDRATE","","- Al F5 H2 O Rb2 -","- Al F5 H2.5 O Rb2 -","- Al4 F20 H10 O4 Rb8 -","4","0.25","","Fourquet, J L; Plet, F; de Pape, R","La structure cristalline de Rb~2~ Al F~5~, H~2~ O. Retour critique sur le type structural Tl~2~ Al F~5~","Revue de Chimie Minerale","1981","18","","19","26","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000201","7.486","0.003","17.757","0.006","5.687","0.002","90","","90.87","0.1","90","","755.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dibarium cobalt(II) iron(III) fluoride","","- Ba2 Co F9 Fe -","- Ba2 Co F9 Fe -","- Ba8 Co4 F36 Fe4 -","4","1","","de Kozak, A; Leblanc, M; Samouel, M; Ferey, G; de Pape, R","Structure Crystalline de Ba~2~ Co Fe F~9~","Revue de Chimie Minerale","1981","18","","659","666","","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001235","6.611","0.004","8.88","0.008","30.154","0.018","90","","90","","90","","1770.2","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium hexatitanium pentaniobium oxide","","- K Nb5 O25 Ti6 -","- K Nb5 O25 Ti6 -","- K4 Nb20 O100 Ti24 -","4","0.25","","Groult, D; Raveau, B","K Ti~6~ Nb~5~ O~25~: A member of a series of chemically twinned Rutile oxides (A M~3~ O~9~)(M~2~ O~4~)~n~","Materials Research Bulletin","1983","18","","141","146","10.1016/0025-5408(83)90074-0","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001238","7.7523","0.0002","7.7523","0.0002","5.6198","0.0002","90","","90","","120","","292.5","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001239","7.766","0.0002","7.766","0.0002","5.6297","0.0003","90","","90","","120","","294","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001240","7.7696","0.0002","7.7696","0.0002","5.6318","0.0003","90","","90","","120","","294.4","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001241","7.7809","0.0003","7.7809","0.0003","5.6407","0.0004","90","","90","","120","","295.7","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001242","7.7853","0.0004","7.7853","0.0004","5.6431","0.0005","90","","90","","120","","296.2","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001243","7.791","0.0004","7.791","0.0004","5.6492","0.0005","90","","90","","120","","297","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Silicon nitride - $-alpha","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001244","7.6018","0.0004","7.6018","0.0004","2.9066","0.0002","90","","90","","120","","145.5","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001245","7.614","0.0004","7.614","0.0004","2.9123","0.0002","90","","90","","120","","146.2","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001246","7.617","0.0004","7.617","0.0004","2.9134","0.0002","90","","90","","120","","146.4","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001247","7.6272","0.0006","7.6272","0.0006","2.9182","0.0003","90","","90","","120","","147","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001248","7.6322","0.0006","7.6322","0.0006","2.9191","0.0004","90","","90","","120","","147.3","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001249","7.6374","0.0007","7.6374","0.0007","2.922","0.0004","90","","90","","120","","147.6","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Silicon nitride - $-beta","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales du nitrure de silicium en fonction de la temperature","Materials Research Bulletin","1983","18","","921","934","10.1016/0025-5408(83)90003-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001251","9.84","","5.81","","20.65","","90","","90","0","90","","1180.6","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Barium discandium oxide","","- Ba O4 Sc2 -","- Ba O4 Sc2 -","- Ba12 O48 Sc24 -","12","1.5","","Agafonov, V; Kahn, A; Michel, D; Guymont, M","Crystal structure of Ba Sc~2~ O~4~; its relation with Perovskite","Materials Research Bulletin","1983","18","","975","981","10.1016/0025-5408(83)90009-0","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001320","12.955","0.005","12.955","0.005","12.955","0.005","90","","90","","90","","2174.3","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","CADMIUM ARSENIDE PHOSPHIDE IODIDE (4/1.5/0.5/3)","","- As1.5 Cd4 I3 P0.5 -","- As1.5 Cd4 I3 P0.5 -","- As12 Cd32 I24 P4 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001321","12.884","0.005","12.884","0.005","12.884","0.005","90","","90","","90","","2138.7","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","TETRACADMIUM ARSENIDE PHOSPHIDE TRIIODIDE","","- As Cd4 I3 P -","- As Cd4 I3 P -","- As8 Cd32 I24 P8 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001322","12.843","0.005","12.843","0.005","12.843","0.005","90","","90","","90","","2118.4","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","CADMIUM ARSENIDE PHOSPHIDE IODIDE (4/0.5/1.5/3)","","- As0.5 Cd4 I3 P1.5 -","- As0.5 Cd4 I3 P1.5 -","- As4 Cd32 I24 P12 -","8","0.333333","","Rebbah, A; Deschanvres, A","Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide","Revue de Chimie Minerale","1981","18","","125","132","","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001626","7.633","0.004","7.633","0.004","7.133","0.003","90","","90","","120","","359.9","","","","","","","","","","","","","3","P -3","-P 3","147","","Tricadmium phosphide trichloride","","- Cd3 Cl3 P -","- Cd3 Cl3 P -","- Cd6 Cl6 P2 -","2","0.333333","","Rebbah, A; Yazbeck, J; Deschanvres, A","Etude structurale des composes Cd3 Y X3 (Y=As, P, X=Cl, Br, I)","Revue de Chimie Minerale","1981","18","","43","53","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007246","6.7855","0.0005","6.7855","0.0005","16.30099","0.002","90","","90","","120","","650","","","","","","","","","","","","","2","R 3 :H","R 3","146","","Iron arsenide (12/5)","","- As5 Fe12 -","- As5 Fe12 -","- As15 Fe36 -","3","0.333333","","Maaref, S; Maddar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P","Etude de la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5","Materials Research Bulletin","1983","18","","473","480","10.1016/0025-5408(83)90139-3","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007265","6.8234","0.0005","6.8234","","16.364","0.002","90","","90","","120","","659.8","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Iron ruthenium arsenide (10/2/5)","","- As5 Fe10.77 Ru1.23 -","- As5 Fe10.77 Ru1.23 -","- As15 Fe32.31 Ru3.69 -","3","0.333333","","Maaref, S; Madar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P","Etude des la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5","Materials Research Bulletin","1983","18","","473","480","10.1016/0025-5408(83)90139-3","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008070","4.49","","5.55","","4.88","","90","","90","","90","","121.6","","","","","","","","","","prepared at 70kbar and 1273K","prepared at 70kbar","","3","P -1","-P 1","2","","Iron vanadium oxide (.8/1.3/4) - prepared at 70kbar and 1273K","","- Fe0.75 O4 V1.25 -","- Fe0.75 O4 V1.25 -","- Fe1.5 O8 V2.5 -","2","1","","Muller, J; Joubert, J C; Marezio, M","Etude des phases du systeme Fe V O~4~ - V O~2~, obtenues par synthese hydrothermale a 70 kbar et 1273k","Journal of Solid State Chemistry","1976","18","","357","362","10.1016/0022-4596(76)90118-3","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008087","6.64","0.01","7.33","0.01","6.4","0.01","90","","92.67","0.08","90","","311.2","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Xenon(II) xenon(IV) fluoride","","- F6 Xe2 -","- F6 Xe2 -","- F12 Xe4 -","2","0.5","","Burns, J. H.; Ellison, R. D.; Levy, H. A.","The crystal structure of the molecular addition compound xenon difluoride - xenon tetrafluoride","Acta Crystallographica (1,1948-23,1967)","1965","18","1","11","16","10.1107/S0365110X65000038","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1008092","7.166","","7.166","","6.281","","90","","90","","90","","322.5","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Terbium chromate(V)","","- Cr O4 Tb -","- Cr O4 Tb -","- Cr4 O16 Tb4 -","4","0.125","","Buisson, G; Tcheou, F; Sayetat, F; Scheunemann, K","Crystallographic and magnetic properties of Tb Cr O~4~ at low temperature (X-Ray and neutron experiments)","Solid State Communications","1976","18","","871","875","10.1016/0038-1098(76)90226-X","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008203","11.031","0.0005","11.031","0.0005","11.031","0.0005","90","","90","","90","","1342.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Nickel manganese phosphide (16/6/7)","","- Mn6 Ni16 P7 -","- Mn6 Ni16 P7 -","- Mn24 Ni64 P28 -","4","0.0208333","","Chaudouet, P; Madar, R; Fruchart, R","Etude de nouveaux pnictures ternaires de metaux de transition isostructuraux des phases G, Ni~16~ Mn~6~ P~7~, Ni~16~ Mn~6~ As~7~","Materials Research Bulletin","1983","18","","713","719","10.1016/0025-5408(83)90098-3","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008210","5.843","0.001","5.843","0.001","13.608","0.002","90","","90","","120","","402.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium tetrairon(III) dititanium oxide","","- Ba Fe4 O11 Ti2 -","- Ba Fe3.99 O11 Ti2.01 -","- Ba2 Fe7.98 O22 Ti4.02 -","2","0.0833333","","Obradors, X; Collomb, A; Pannetier, J; Isalgue, A; Tejada, J; Joubert, J C","Crystal structure and cationic distribution of Ba Fe~4~ Ti~2~ O~11~ R- type hexagonal ferrite","Materials Research Bulletin","1983","18","","1543","1553","10.1016/0025-5408(83)90196-4","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008782","3.27","0.001","3.27","0.001","5.956","0.003","90","","90","","120","","55.2","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.2 S2 V -","- P0.2 S2 V -","- P0.2 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008783","3.268","0.001","3.268","0.001","5.939","0.001","90","","90","","120","","54.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.17 S2 V -","- P0.17 S2 V -","- P0.17 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008784","3.268","0.001","3.268","0.001","5.936","0.001","90","","90","","120","","54.9","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Phosphorus vanadium sulfide (.2/1/2)","","- P0.17 S2 V -","- P0.17 S2 V -","- P0.17 S2 V -","1","0.0833333","","Brec, R; Ouvrard, G; Freour, R; Rouxel, J; Soubeyroux, J L","Neutron and x-ray diffraction study of layered P0.2 V S2","Materials Research Bulletin","1983","18","","689","696","10.1016/0025-5408(83)90095-8","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010303","6.326","","6.326","","11.535","","90","","90","","120","","399.8","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Caesium duo-disulfate","","- Cs2 O6 S2 -","- Cs2 O6 S2 -","- Cs4 O12 S4 -","2","0.166667","","Haegg, G.","Die Kristallstruktur von Caesiumdithionat, Cs~2~S~2~O~6~","Zeitschrift für Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1932","18","","327","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010825","3.15","","3.15","","24.4","","90","","90","","120","","209.7","","","","","","","","","","","","","4","","","","","Pentacobalt nonahydroxide chloride tetrahydrate","","- Cl Co5 H17 O13 -","","","1","","","Feitknecht, W; Fischer, G","Zur Chemie und Morphologie der basischen Salze zweiwertiger Metalle. III. Ueber basische Kobaltchloride.","Helvetica Chimica Acta","1935","18","","555","569","10.1002/hlca.19350180175","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010858","6.85","","6.85","","10.95","","90","","90","","120","","445","","","","","","","","","","","","","3","","","","","Sodium catena-borate","","- B Na O2 -","","","16","","","Cole, S S; Scholes, S R; Amberg, C R","The System R~2~ O - B~2~ O~3~, II. Properties of Anhydrous and Hydrated Metaborates of Sodium and Potassium","Journal of the American Ceramic Society","1935","18","","58","61","10.1111/j.1151-2916.1935.tb19353.x","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010897","4.1","","4.1","","4.1","","90","","90","","90","","68.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lithium titanium oxide (2.7/1.3/4)","","- Li2.666 O3.999 Ti1.333 -","- Li2.68 O4 Ti1.32 -","- Li2.68 O4 Ti1.32 -","1","0.00520833","","Kordes, E","Ueber die Steinsalzstruktur der Verbindung Li~2~ Ti O~3~ und ihre Mischkristallbildung mit Mg O","Fortschritte der Mineralogie","1933","18","","27","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011111","4.028","","4.028","","4.028","","90","","90","","90","","65.4","","","","","","","","","","","","loaded) - synthetic, sputtered","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Kahler, H","The crystalline structures of sputtered and evaporated metallic films","Physical Review (1,1893-132,1963/141,1966-188,1969)","1921","18","","210","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1100525","6.555","0.002","7.984","0.002","9.859","0.003","90","","97.15","0.04","90","","511.96","","","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 As2 Ti -","- C26 As8 Ti -","- C52 As16 Ti2 -","2","0.5","","Elschenbroich, Christoph; Kroker, Jörg; Nowotny, Mathias; Behrendt, Andreas; Metz, Bernhard; Harms, Klaus","η^6^-Coordination of Arsenine to Titanium, Vanadium, and Chromium","Organometallics","1999","18","8","1495","1503","10.1021/om9810091","","","","","","","","","","","","","","","","","","","","","has coordinates","183818","2020-10-21","18:00:00",""
"1100526","12.2612","0.0018","12.8839","0.0017","13.2646","0.0019","102.19","0.016","103.921","0.017","91.472","0.017","1981.56","","","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 As2 Ti -","- C10.5 H10.5 As2 Ti -","- C84 H84 As16 Ti8 -","8","4","","Elschenbroich, Christoph; Kroker, Jörg; Nowotny, Mathias; Behrendt, Andreas; Metz, Bernhard; Harms, Klaus","η^6^-Coordination of Arsenine to Titanium, Vanadium, and Chromium","Organometallics","1999","18","8","1495","1503","10.1021/om9810091","","","","","","","","","","","","","","","","","","","","","has coordinates","183818","2020-10-21","18:00:00",""
"1100595","10.447","0.002","8.089","0.0012","10.911","0.002","90","","102.25","0.03","90","","901.05","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 V2 -","- C48 H44 V4 -","- C96 H88 V8 -","2","0.5","","Elschenbroich, Christoph; Schiemann, Olav; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","[5-5]Bitrovacene, (μ-η^5^:η^5^-Fulvalenediyl)bis[(η^7^-cycloheptatrienyl)vanadium]: Synthesis, Structure, and Intermetallic Communication","Organometallics","1999","18","17","3273","3277","10.1021/om9902232","","","","","","","","","","","","","","","","","","","","","has coordinates","176888","2020-10-21","18:00:00",""
"1100596","10.768","0.003","7.851","0.002","16.189","0.006","90","","97.53","0.03","90","","1356.81","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 V -","- C18 H16 V -","- C72 H64 V4 -","4","2","","Elschenbroich, Christoph; Schiemann, Olav; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen","[5-5]Bitrovacene, (μ-η^5^:η^5^-Fulvalenediyl)bis[(η^7^-cycloheptatrienyl)vanadium]: Synthesis, Structure, and Intermetallic Communication","Organometallics","1999","18","17","3273","3277","10.1021/om9902232","","","","","","","","","","","","","","","","","","","","","has coordinates","176888","2020-10-21","18:00:00",""
"1101095","6.9193","0.0007","11.8361","0.0008","15.259","0.002","90","","97.482","0.01","90","","1239","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cu N7 O5 -","- C8 H11 Cu N7 O5 -","- C32 H44 Cu4 N28 O20 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0347","","","0.0971","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101096","5.291","0.0005","12.0171","0.0009","21.792","0.002","90","","93.981","0.009","90","","1382.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu N6 O6 -","- C9 H14 Cu N6 O6 -","- C36 H56 Cu4 N24 O24 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0808","","","0.1241","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101097","7.783","0.001","8.0754","0.0009","10.252","0.002","99.326","0.012","103.785","0.013","118.47","0.009","520.67","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cl2 Cu N8 O6 -","- C16 H20 Cl2 Cu N8 O6 -","- C16 H20 Cl2 Cu N8 O6 -","1","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on new M^II^X~2~L~2~ dihalocomplexes of 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of the monodimensionally hydrogen-bonded dichloro-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) dihydrate","Polyhedron","1999","18","","85","91","10.1016/S0277-5387(98)00270-8","","","","","","","0.0692","","","0.1578","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101106","7.3518","0.0008","21.308","0.002","11.0976","0.0012","90","","99.245","0.008","90","","1715.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 O6 Zn -","- C14 H16 N6 O6 Zn -","- C56 H64 N24 O24 Zn4 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0621","","","0.1572","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101142","6.3589","0.0004","10.7795","0.0006","10.3836","0.0006","90","","90.019","0.001","90","","711.75","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 Li5 O8 P2 V -","- F2 Li5 O8 P2 V -","- F8 Li20 O32 P8 V4 -","4","1","","Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.","Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)","Chemistry of Materials","2006","18","7","1745","1752","10.1021/cm0513738","","","0.71073","MoKα","","0.0422","0.0375","","","0.0732","0.0741","","","","","","1.683","","","","has coordinates","178242","2020-10-21","18:00:00",""
"1101224","7.3373","0.001","11.2668","0.0016","8.2369","0.0018","90","","97.387","0.003","90","","675.3","0.2","293","0.2","293","0.2","","","","","","","","4","I 1 2 1","I 2y","5","","Sodium molybdenum tellurium oxide","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv","Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties","Chemistry of Materials","2006","18","8","2070","2074","10.1021/cm052614e","","","0.71073","MoKα","","0.0337","0.0331","","","0.0886","0.0891","","","","","","1.081","","","","has coordinates","178244","2020-10-21","18:00:00",""
"1506791","6.1214","0.0007","10.1587","0.0012","31.893","0.004","90","","90","","90","","1983.3","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1S trans, αR)","","","- C21 H19 Cl2 N O3 -","- C21 H19 Cl2 N O3 -","- C84 H76 Cl8 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0284","0.0254","","","0.0626","0.065","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506792","6.1223","0.0008","10.1589","0.0013","31.893","0.004","90","","90","","90","","1983.6","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1R trans, αS)","","","- C21 H19 Cl2 N O3 -","- C21 H19 Cl2 N O3 -","- C84 H76 Cl8 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0303","0.027","","","0.0674","0.0701","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506793","5.7009","0.0006","18.4406","0.0019","19.793","0.002","90","","90","","90","","2080.8","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2R,αS","","","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","- C96 H88 Cl4 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0432","0.0322","","","0.0725","0.0802","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1507762","10.4052","0.0001","7.2251","0.0001","7.2689","0.0001","90","","90.664","0.0004","90","","546.429","0.012","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- F14 Ga3 Na5 -","- F14 Ga3 Na5 -","- F28 Ga6 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507763","10.5096","0.0003","7.2253","0.0002","7.2713","0.0002","90","","90.6753","0.0007","90","","552.11","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cr3 F14 Na5 -","- Cr3 F14 Na5 -","- Cr6 F28 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507764","10.4342","0.0007","7.3418","0.0006","7.4023","0.0006","90","","90.799","0.005","90","","567","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- F14 Fe3 Na5 -","- F14 Fe3 Na5 -","- F28 Fe6 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509095","53.68","","4.11","","15.4","","90","","90","","90","","3397.62","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Silver lead bismuth selenium sulfide *","","- Ag0.32 Bi8.55 Pb5.09 S11.97 Se6.03 -","- Ag0.33 Bi8.58 Pb5.09 S11.97 Se6.03 -","- Ag1.32 Bi34.32 Pb20.36 S47.88 Se24.12 -","4","0.5","","Mumme, W.G.","Weibullite Ag0.32 Pb5.09 Bi8.55 Se6.08 S11.92: A higher homologue of galenobismutite","Canadian Mineralogist","1980","18","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509291","7.5","","15.751","","5.702","","90","","90","","90","","673.592","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag Cu (P O4)","","- Ag Cu O4 P -","- Ag Cu O4 P -","- Ag8 Cu8 O32 P8 -","8","1","","Oumba, M.T.; Quarton, M.","Proprietes de l'ion Cu2+ dans la structure de Ag Cu P O4 - beta","Materials Research Bulletin","1983","18","","967","974","10.1016/0025-5408(83)90008-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509418","5.7934","","5.7934","","11.6223","","90","","90","","90","","390.085","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","","","- Ag In5 Se8 -","- Ag In5 Se8 -","- Ag In5 Se8 -","1","0.125","","Benoit, P.; Charpin, P.; Djega-Mariadassou, C.","Composes definis dans le systeme Ag-In-Se. Structure cristalline de ()2 Ag In5 Se8","Materials Research Bulletin","1983","18","","1047","1057","10.1016/0025-5408(83)90146-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509591","10.503","","10.503","","10.503","","90","","90","","90","","1158.62","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Ag1.4 Cu10.6 Sb4 S13","","- Ag1.4 Cu10.6 S13 Sb4 -","- Ag1.44 Cu10.56 S13 Sb4 -","- Ag2.88 Cu21.12 S26 Sb8 -","2","0.0416667","","Kalbskopf, R.","Strukturverfeinerung des Freibergits","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","18","","147","155","10.1007/BF01081799","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509649","5.71","","5.71","","5.71","","90","","90","","90","","186.169","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ag2 In Sb Se4 -","- Ag2 In Sb Se4 -","- Ag2 In Sb Se4 -","1","0.00520833","","Schanow, W.; Range, K.J.","Homogene abschreckbare Hochdruckphasen in den Systemen Ag Sb Se2 - Ag In Se2 und Ag Bi Se2 - Ag In Se2","Materials Research Bulletin","1983","18","","39","44","10.1016/0025-5408(83)90169-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510321","7.808","","4.57","","9.409","","90","","90","","90","","335.737","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Yb2 -","- Au Yb2 -","- Au4 Yb8 -","4","0.5","","Palenzona, A.; Iandelli, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510515","6.03","","5.068","","4.93","","90","","90","","90","","150.661","","","","","","","","","","","","","2","P m m n :1","P 2 2ab -1ab","59","","","","- Au3 Tm -","- Au3 Tm -","- Au6 Tm2 -","2","0.25","","Steeb, S.; Donolato, C.","Structure of the compounds Au3 Eu, Au3 Tb, Au3 Tm and also of Ag3 Tb and Ag3 Tm","Journal of the Less-Common Metals","1969","18","","442","442","10.1016/0022-5088(69)90019-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510516","5.98","","4.928","","5.077","","90","","90","","90","","149.616","","","","","","","","","","","","","2","P m m n :1","P 2 2ab -1ab","59","","","","- Au3 Yb -","- Au3 Yb -","- Au6 Yb2 -","2","0.25","","Iandelli, A.; Palenzona, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510517","7.793","","7.793","","14.26","","90","","90","","90","","866.022","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Au3 Yb5 -","- Au3 Yb5 -","- Au12 Yb20 -","4","0.125","","Palenzona, A.; Iandelli, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510518","10.372","","10.372","","6.514","","90","","90","","120","","606.881","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Au3 Yb7 -","- Au3 Yb7 -","- Au6 Yb14 -","2","0.166667","","Iandelli, A.; Palenzona, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510541","6.628","","6.628","","4.128","","90","","90","","90","","181.345","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Au4 Yb -","- Au4 Yb -","- Au8 Yb2 -","2","0.125","","Iandelli, A.; Palenzona, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510542","7.752","","15.029","","7.88","","90","","90","","90","","918.058","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au4 Yb5 -","- Au4 Yb5 -","- Au16 Yb20 -","4","0.5","","Palenzona, A.; Iandelli, A.","The yttrium-gold system","Journal of the Less-Common Metals","1969","18","","221","227","10.1016/0022-5088(69)90160-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510656","9.636","","5.432","","6.635","","90","","119.38","","90","","302.627","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba2 Ca (B O3)2","","- B2 Ba2 Ca O6 -","- B2 Ba2 Ca O6 -","- B4 Ba4 Ca2 O12 -","2","0.25","","Akella, A.; Keszler, D.A.","Crystal structure of the borate Ba2 Ca (B O3)2","Main Group Met. Chem.","1995","18","","35","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510930","8.816","","14.127","","5.812","","90","","103.72","","90","","703.194","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li3 Pr2 (B O3)3","","- B3 Li3 O9 Pr2 -","- B3 Li3 O9 Pr2 -","- B12 Li12 O36 Pr8 -","4","1","","Mamedov, Kh.S.; Amikaslanov, I.K.; Magerramov, A.I.; Abdullaev, G.K.","The crystal structure of lithium praseodymium orthoborate, 3 Li3 Pr2 (B O3)3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1977","18","","410","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511023","5.005","","5.005","","6.932","","90","","90","","120","","150.383","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce Co4 B","","- B Ce Co4 -","- B Ce Co4 -","- B2 Ce2 Co8 -","2","0.0833333","","Bilonizhko, N.S.; Kuz'ma, Yu.B.","New boride structural types in the homologous series based on the Ca Cu5 and Ce Co3 B2 types","Kristallografiya","1973","18","","710","714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511266","4.96","","4.96","","6.917","","90","","90","","120","","147.371","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ni4 Tm B","","- B Ni4 Tm -","- B Ni4 Tm -","- B2 Ni8 Tm2 -","2","0.0833333","","Chernyak, G.V.; Kuz'ma, Yu.B.; Chaban, N.F.","New borides of the rare earth metals and nickel","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1982","18","","590","592","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511501","10.711","","4.427","","4.235","","90","","90","","90","","200.814","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Sr O (B2 O3)2","","- B4 O7 Sr -","- B4 O7 Sr -","- B8 O14 Sr2 -","2","0.5","","Krogh-Moe, J.","The Crystal Structure of Strontium Diborate, Sr O (B2 O3)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","2055","2060","10.3891/acta.chem.scand.18-2055","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511758","8.78","","16.54","","7.42","","90","","90","","90","","1077.54","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","La2 Sr3 (B O3)4","","- B4 La2 O12 Sr3 -","- B4 La2 O12 Sr3 -","- B16 La8 O48 Sr12 -","4","1","","Mamedov, Kh.S.; Abdullaev, G.K.; Amirov, S.T.","Crystal structure of La2 Sr3 (B O3)4","Kristallografiya","1973","18","","1075","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513961","8.029","0.002","8.029","0.002","8.029","0.002","90","","90","","90","","517.6","0.2","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.06/2/4)","","- Li0.03 Mn2 O4 -","- Li0.03 Mn2 O4 -","- Li0.24 Mn16 O32 -","8","0.0416667","","Mosbah, A.; Verbaere, A.; Tournoux, M.","Phases Lix Mn O2 lambda rattachees au type spinelle","Materials Research Bulletin","1983","18","","1375","1381","10.1016/0025-5408(83)90045-4","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513963","5.6504","0.0007","5.6504","0.0007","9.242","0.002","90","","90","","90","","295.07","0.08","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Manganese Oxide (1/1/2)","","- Li Mn O2 -","- Li Mn O2 -","- Li8 Mn8 O16 -","8","0.25","","Mosbah, A.; Verbaere, A.; Tournoux, M.","Phases Lix Mn O2 lambda rattachees au type spinelle","Materials Research Bulletin","1938","18","","1375","1381","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1514039","6.022","0.002","6.022","0.002","9.011","0.004","90","","90","","90","","326.8","0.2","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Dimanganese(II) Manganese(III) Oxide","","- Li Mn3 O4 -","- Li Mn3 O4 -","- Li4 Mn12 O16 -","4","0.125","","Thackeray, M. M.; David, W. I. F.; Bruce, P. G.; Goodenough, J. B.","Lithium insertion into manganese spinels","Materials Research Bulletin","1983","18","","461","472","10.1016/0025-5408(83)90138-1","","","","","","0.121","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514040","5.662","0.002","5.662","0.002","9.274","0.004","90","","90","","90","","297.3","0.2","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Dilithium Dimanganate(III)","","- Li2 Mn2 O4 -","- Li2.02 Mn2 O4 -","- Li8.08 Mn8 O16 -","4","0.125","","Thackeray, M. M.; David, W. I. F.; Bruce, P. G.; Goodenough, J. B.","Lithium insertion into manganese spinels","Materials Research Bulletin","1983","18","","461","472","10.1016/0025-5408(83)90138-1","","","","","","0.0772","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1521738","11.755","","13.0493","","16.289","","77.13","","82.92","","89.65","","2416.71","","","","","","","","","","","","","5","P -1","-P 1","2","","K7 Na3 (H2 W12 O42) (H2 O)6","","- H14 K7 Na3 O48 W12 -","- K7 Na3 O48 W12 -","- K14 Na6 O96 W24 -","2","1","","Peng, J.; Liu, J.; Wang, E.-B.; Jia, H.-Q.; Xin, M.-H.; Lin, Y.-H.; Xing, Y.","Crystal structure of mixed sodium-potassium paradodecatungstate 6-hydrate","Jiegon Huaxue","1999","18","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","141952","2020-10-21","18:00:00",""
"1522348","7.3556","","7.3556","","10.685","","90","","90","","90","","578.11","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","(Nd0.023 Gd0.977)2 (Mo O4)3","","- Gd1.954 Mo3 Nd0.046 O12 -","- Gd1.954 Mo3 Nd0.046 O12 -","- Gd3.908 Mo6 Nd0.092 O24 -","2","0.25","","Zou, Y.-Q.; Chen, L.; Gao, X.-Y.; Tang, D.-Y.; Luo, Z.-D.","Crystal structure of P4-21m phase Nd(3+): Gd2 (Mo O4)3","Jiegon Huaxue","1999","18","","447","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","142570","2020-10-21","18:00:00",""
"1522572","7.71","","7.71","","7.71","","90","","90","","90","","458.314","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(La0.7 Y0.3) Mn2","","- La0.7 Mn2 Y0.3 -","- La0.7 Mn2 Y0.3 -","- La5.6 Mn16 Y2.4 -","8","0.0416667","","Nakamura, H.; Wada, H.; Nakamura, Y.; Shiga, M.; Yoshimura, K.; Sakurai, J.; Komura, Y.","Effect of chemical pressure on the magnetism of Y Mn2: Magnetic properties of Y1-x Scx Mn2 and Y1-x Lax Mn2","Journal of Physics F","1988","18","","981","991","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522599","3.9457","","3.9457","","3.9457","","90","","90","","90","","61.429","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd0.845 Zr0.155 )","","- Pd0.845 Zr0.155 -","- Pd0.845 Zr0.155 -","- Pd3.38 Zr0.62 -","4","0.0208333","","Norman, M.; Harris, I.R.","A study of some alpha Pd-Sc, Pd-Zr and Pd-Gd alloys","Journal of the Less-Common Metals","1969","18","","333","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","142859","2020-10-21","18:00:00",""
"1522664","8.958","","8.958","","5.623","","90","","90","","120","","390.77","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd13 Tl9 -","- Pd13 Tl9 -","- Pd13 Tl9 -","1","0.0833333","","Panday, P.K.; Schubert, K.","Strukturuntersuchungen in einigen Mischungen T-B3-B4 (T= Mn, Fe, Co, Ir, Ni, Pd; B3= Al, Ga, Tl; B4= Si, Ge)","Journal of the Less-Common Metals","1969","18","","175","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522721","8.242","","4.74","","8.747","","90","","90","","90","","341.72","","","","","","","","","","","","","2","F d d d :1","F 2 2 -1d","70","","","","- Ga2 Os -","- Ga2 Os -","- Ga16 Os8 -","8","0.25","","Popova, S.V.; Fomicheva, L.N.","New phases in the Re-Ga and Os-Ga syastems, obtained at high pressure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1982","18","","205","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522972","6.136","","6.136","","6.136","","90","","90","","90","","231.023","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ni Rh2 Sn -","- Ni Rh2 Sn -","- Ni4 Rh8 Sn4 -","4","0.0208333","","Suits, J.C.","Structural instability in new magnetic Heusler compounds","Solid State Communications","1976","18","","423","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522973","6.192","","6.192","","6.192","","90","","90","","90","","237.407","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Rh2 Sn V -","- Rh2 Sn V -","- Rh8 Sn4 V4 -","4","0.0208333","","Suits, J.C.","Structural instability in new magnetic Heusler compounds","Solid State Communications","1976","18","","423","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522974","5.745","","5.745","","7.291","","90","","90","","90","","240.64","","","","","","","","","","","","","3","P 42/n c m :1","P 4n 2ab -1n","138","","","","- Rh2 Sn V -","- Rh2 Sn V -","- Rh8 Sn4 V4 -","4","0.25","","Suits, J.C.","Structural instability in new magnetic Heusler compounds","Solid State Communications","1976","18","","423","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523043","8.402","","8.402","","8.048","","90","","90","","120","","492.021","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Nd2 Ni17 -","- Nd2 Ni17 -","- Nd4 Ni34 -","2","0.0833333","","Virkar, A.V.; Raman, A.","Crystal structures of A B3 and A2 B7 rare earth-nickel phases","Journal of the Less-Common Metals","1969","18","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523044","5.053","","5.053","","24.62","","90","","90","","120","","544.399","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- La2 Ni7 -","- La2 Ni7 -","- La8 Ni28 -","4","0.166667","","Virkar, A.V.; Raman, A.","Crystal structures of A B2 and A2 B7 rare earth-nickel phases","Journal of the Less-Common Metals","1969","18","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523074","5.241","","5.241","","8.565","","90","","90","","120","","203.745","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn2 Tm -","- Mn2 Tm -","- Mn8 Tm4 -","4","0.166667","","Wernick, J.H.; Haszko, S.E.","Manganese rare earth compounds with the Mg Zn2 structure","Journal of Physics and Chemistry of Solids","1961","18","","207","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523075","4.995","","4.995","","8.213","","90","","90","","120","","177.461","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Hf Mn2 -","- Hf Mn2 -","- Hf4 Mn8 -","4","0.166667","","Wernick, J.H.; Haszko, S.E.","Manganese-rare earth compounds with the Mg Zn2 structure","Journal of Physics and Chemistry of Solids","1961","18","","207","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523103","8.918","","8.918","","8.918","","90","","90","","90","","709.255","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Al2 Dy3 Ni6 -","- Al2 Dy3 Ni6 -","- Al8 Dy12 Ni24 -","4","0.0416667","","Yartys', V.A.; Pavlenko, V.V.","Hydrides of rare-earth nickel aluminum R3 Ni6 Al2 (R= Y, Sm, Gd, Dy, Ho, Er) of the type Ca3 Ag8","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","424","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523104","8.974","","8.974","","8.974","","90","","90","","90","","722.7","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Al2 Gd3 Ni6 -","- Al2 Gd3 Ni6 -","- Al8 Gd12 Ni24 -","4","0.0416667","","Yartys', V.A.; Pavlenko, V.V.","Hydrides of rare earth nickel aluminium R3 Ni6 Al2 (R= Y, Sm, Gd, Dy, Ho, Er) of the type Ca3 Ag8","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","424","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523105","8.888","","8.888","","8.888","","90","","90","","90","","702.121","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Al2 Ho3 Ni6 -","- Al2 Ho3 Ni6 -","- Al8 Ho12 Ni24 -","4","0.0416667","","Yartys', V.A.; Pavlenko, V.V.","Hydrides of rare earth nickel aluminium R3 Ni6 Al2 (R= Y, Sm, Gd, Dy, Ho, Er) of the type Ca3 Ag8","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","424","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523106","9.006","","9.006","","9.006","","90","","90","","90","","730.459","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Al2 Ni6 Sm3 -","- Al2 Ni6 Sm3 -","- Al8 Ni24 Sm12 -","4","0.0416667","","Yartys', V.A.; Pavlenko, V.V.","Hydrides of rare-earth nickel aluminum R3 Ni6 Al2 (R= Y, Sm, Gd, Dy, Ho, Er) of the type Ca3 Ag8","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","424","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523107","8.915","","8.915","","8.915","","90","","90","","90","","708.539","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Al2 Ni6 Y3 -","- Al2 Ni6 Y3 -","- Al8 Ni24 Y12 -","4","0.0416667","","Yartys', V.A.; Pavlenko, V.V.","Hydrides of rare-earth nickel aluminum R3 Ni6 Al2 (R= Y, Sm, Gd, Dy, Ho, Er) of the type Ca3 Ag8","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","424","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523153","3.17","","3.17","","3.17","","90","","90","","90","","31.855","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Nb Tc)","","- Nb Tc -","- Nb Tc -","- Nb Tc -","1","0.0104167","","van Ostenburg, D.O.; Lam, D.J.; Katsuki, A.; Shimizu, M.","NMR, magnetic susceptibility and electronic specific heat of Nb and Mo metals and Nb-Tc and Nb-Mo alloys","Journal of the Physical Society of Japan","1963","18","","1744","1754","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523412","4.091","","4.091","","4.091","","90","","90","","90","","68.468","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Gd Pt3 -","- Gd Pt3 -","- Gd Pt3 -","1","0.0208333","","Colinet, C.; Pasturel, A.; Buschow, K.H.J.","Study of the enthalpies of formation in the Gd - (Fe, Co, Pd, Pt) systems","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1987","18","","903","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523432","6.9155","","6.9155","","6.9155","","90","","90","","90","","330.728","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Zr -","- Ni2 Zr -","- Ni16 Zr8 -","8","0.0416667","","Da, J.M.; Brochado Oliveira, C.; Harris, I.R.","Valency compensation in the Laves system, Ce (Co1-x Nix)2","Journal of Materials Science","1983","18","","3649","3660","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523715","9.86","","5.6477","","19.127","","90","","90","","90","","1065.11","","","","","","","","","","","","","2","F d d d :1","F 2 2 -1d","70","","","","- Nb Sn2 -","- Nb Sn2 -","- Nb16 Sn32 -","16","0.5","","Gomes de Mesquita, A.H.; Langereis, C.; Leenhouts, J.L.","The structure of Nb Sn2","Philips Research Reports","1963","18","","377","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524033","8.876","","6.8724","","11.1807","","90","","90","","90","","682.016","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","Rb Fe Cl3 (D2 O)2","","- Cl3 D4 Fe O2 Rb -","- Cl3 D4 Fe O2 Rb -","- Cl12 D16 Fe4 O8 Rb4 -","4","0.5","","Basten, J.A.J.; de Jonge, W.J.M.; van Vlimmeren, Q.A.G.","Crystallographic and magnetic structure of rubidium iron trichloride dideuterate and cesium iron trichloride dideuterate","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1978","18","","2179","2184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524034","8.9809","","7.2132","","11.3867","","90","","90","","90","","737.642","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","Cs Fe Cl3 (D2 O)2","","- Cl3 Cs D4 Fe O2 -","- Cl3 Cs D4 Fe O2 -","- Cl12 Cs4 D16 Fe4 O8 -","4","0.5","","Basten, J.A.J.; van Vlimmeren, Q.A.G.; de Jonge, W.J.M.","Crystallographic and magnetic structure of rubidium iron trichloride dideuterate and cesium iron trichloride dideuterate","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1978","18","","2179","2184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524121","12.63","","5.288","","7.54","","90","","90","","90","","503.577","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Zn F2 (H2 O)4","","- F2 H8 O4 Zn -","- F2 H8 O4 Zn -","- F8 H32 O16 Zn4 -","4","1","","Bukvetskii, B.V.; Polishchuk, S.A.; Simonov, V.I.","Crystal structure of zinc fluoride tetrahydrate, Zn F2 (H2 O)4","Kristallografiya","1973","18","","956","960","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524134","6.92","","9.293","","6.213","","90","","90","","90","","399.543","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Co Ho3 -","- Co Ho3 -","- Co4 Ho12 -","4","0.5","","Buschow, K.H.J.; van der Goot, A.S.","The crystal structure of rare-earth cobalt compounds of the type R3 Co","Journal of the Less-Common Metals","1969","18","","309","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524242","6.9495","","6.9495","","6.9495","","90","","90","","90","","335.63","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co Ni) Zr","","- Co Ni Zr -","- Co Ni Zr -","- Co8 Ni8 Zr8 -","8","0.0416667","","Da, J.M.; Brochado Oliveira, C.; Harris, I.R.","Valency compensation in the Laves system Ce (Co1-x Nix)2","Journal of Materials Science","1983","18","","3649","3660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524408","4.77","","4.77","","4.77","","90","","90","","90","","108.531","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ce Pu)","","- Ce Pu -","- Ce Pu -","- Ce2 Pu2 -","2","0.0104167","","Giessen, B.C.; Struebing, V.O.; Elliott, R.O.","Metastable f.c.c. Pu-Ce solid solutions","Materials Science and Engineering","1975","18","","239","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524602","9.07","","8.3","","7.34","","115.5","","94.2","","111.8","","444.792","","","","","","","","","","","","","4","P -1","-P 1","2","","Eu (H2 P O2)3 H2 O","","- Eu H8 O7 P3 -","- Eu O7 P3 -","- Eu2 O14 P6 -","2","1","","Ionov, V.M.; Aslanov, L.A.; Rybakov, V.B.; Porai-Koshits, M.A.","Crystal structure of europium hypophosphite monohydrate","Kristallografiya","1973","18","","405","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524657","17.55","","8.82","","5.17","","90","","90","","90","","800.269","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Cs Nb O (S O4)2","","- Cs Nb O9 S2 -","- Cs Nb O9 S2 -","- Cs4 Nb4 O36 S8 -","4","0.5","","Kashaev, A.A.; Sokolova, G.V.","Crystal structure of Cs Nb O (S O4)2","Kristallografiya","1973","18","","620","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524658","16.95999","","8.76","","5.16","","90","","90","","90","","766.619","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Rb (Nb O) (S O4)2","","- Nb O9 Rb S2 -","- Nb O9 Rb S2 -","- Nb4 O36 Rb4 S8 -","4","0.5","","Kashaev, A.A.; Postoenko, G.E.; Zel'bst, E.A.","Crystal structures of Rb Nb O (S O4)2 and N H4 Nb O (S O4)2","Kristallografiya","1973","18","","1278","1280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524659","17.01","","8.69","","5.13","","90","","90","","90","","758.301","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","(N H4) (Nb O) (S O4)2","","- H4 N Nb O9 S2 -","- N Nb O9 S2 -","- N4 Nb4 O36 S8 -","4","0.5","","Kashaev, A.A.; Postoenko, G.E.; Zel'bst, E.A.","Crystal structures of Rb Nb O (S O4)2 and N H4 Nb O (S O4)2","Kristallografiya","1973","18","","1278","1280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524808","3.835","","3.835","","3.835","","90","","90","","90","","56.402","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Co0.5 Pt0.5)","","- Co0.5 Pt0.5 -","- Co0.5 Pt0.5 -","- Co2 Pt2 -","4","0.0208333","","Leroux, C.; Cadeville, M.C.; Pierron-Bohnes, V.; Inden, G.; Hinz, F.","Comparative investigation of structural transport properties of L10 Ni Pt and Co Pt phases; the role of magnetism","Journal of Physics F","1988","18","","2033","2051","","","","","","","","","","","","","","","","","","","","","","has coordinates","145650","2020-10-21","18:00:00",""
"1525190","7.412","","7.412","","7.412","","90","","90","","90","","407.199","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cd3 Y -","- Cd3 Y -","- Cd12 Y4 -","4","0.0208333","","Ryba, E.; Kejriwal, P.K.; Elmendorf, R.","The partial Y-Cd phase diagram","Journal of the Less-Common Metals","1969","18","","419","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525246","6.734","","23.24","","4.115","","90","","90","","90","","643.99","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","U2 Mo O8","","- Mo O8 U2 -","- Mo O8 U2 -","- Mo4 O32 U8 -","4","0.5","","Serezhkin, V.N.; Kovba, L.M.; Trunov, V.K.","Crystal structure of U2 Mo O8","Kristallografiya","1973","18","","514","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525247","8.246","","28.76","","19.78","","90","","90","","90","","4690.92","","","","","","","","","","","","","3","C c c m","-C 2 2c","66","","U3 Mo20 O64","","- Mo20 O64 U3 -","- Mo20 O64 U3 -","- Mo80 O256 U12 -","4","0.25","","Serezhkin, V.N.; Kovba, L.M.; Trunov, V.K.","Structure of the double oxide alpha-U3 Mo20 O64","Kristallografiya","1973","18","","961","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","146171","2020-10-21","18:00:00",""
"1525259","5.779","","3.943","","9.076","","90","","90","","90","","206.811","","","","","","","","","","","","","1","C m c e","-C 2ac 2","64","","","","- I2 -","- I2 -","- I8 -","4","0.25","","Shimomura, O.; Takemura, K.; Fujii, Y.; Minomura, S.","Structure analysis of high pressure metallic state of iodine","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1978","18","","715","719","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:45",""
"1525290","10.86","","7.78","","7.42","","91","","95.4","","108.43","","591.388","","","","","","","","","","","","","5","P -1","-P 1","2","","K2 Co (B6 O7 (O H)6)2 (H2 O)4","","- B12 Co H20 K2 O30 -","- B12 Co K2 O30 -","- B12 Co K2 O30 -","1","0.5","","Silin', E.Ya.; Ozols, J.; Levin'sh, A.F.","Structure of calcium-cobalt hexaborate K2 Co (B6 O7 (O H)6)2 (H2 O)4","Kristallografiya","1973","18","","503","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525353","6.146","","6.146","","6.146","","90","","90","","90","","232.155","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cu Rh2 Sn -","- Cu Rh2 Sn -","- Cu4 Rh8 Sn4 -","4","0.0208333","","Suits, J.C.","Structural instability in new magnetic Heusler alloys","Solid State Communications","1976","18","","423","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525385","16.119","","4.3935","","6.896","","90","","115.88","","90","","439.388","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu4 Sn4 Tm3 -","- Cu4 Sn4 Tm3 -","- Cu8 Sn8 Tm6 -","2","0.25","","Thirion, F.; Steinmetz, J.; Malaman, B.","Structures cristalline de Sc3 Cu4 Ge4, TR3 Cu4 Sn4 (TR= Y, Gd, Tb, Dy, Ho, Er), isotypes de Gd3 Cu4 Ge4, et de la phase apparentee Tm3 Cu4 Sn4","Materials Research Bulletin","1983","18","","1537","1542","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526095","5.468","","9.489","","19.963","","90","","90","","90","","1035.8","","","","","","","","","","","","","8","P n m n","-P 2n 2n","58","","Ba (Fe.84 Mg.16)3 (Si1.36 Fe.29 Fe.35)2 O10 (O H) (S.85 Cl.15)","","- Ba Cl0.15 Fe3.8 H Mg0.48 O11 S0.85 Si2.72 -","- Ba Cl0.15 Fe3.8 Mg0.48 O11 S0.85 Si2.72 -","- Ba4 Cl0.6 Fe15.2 Mg1.92 O44 S3.4 Si10.88 -","4","0.5","","Giuseppetti, G.; Tadini, C.","The Crystal Structure of 2 O Brittle Mica. Anandite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","18","","169","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526308","3.817","","3.817","","29.32999","","90","","90","","90","","427.323","","","","","","","","","","","","","7","I 4/m m m","-I 4 2","139","","(Pb0.5 Cd0.5) (Sr0.9 Ho0.1)2 (Ho0.7 Ce0.3)2 Cu2 O9","","- Cd0.5 Ce0.6 Cu2 Ho1.6 O9 Pb0.5 Sr1.8 -","- Cd0.5 Ce0.6 Cu2 Ho1.6 O9 Pb0.5 Sr1.8 -","- Cd Ce1.2 Cu4 Ho3.2 O18 Pb Sr3.6 -","2","0.0625","","Qu, B.; Qian, Y.-T.; Chen, Z.-Y.; Luo, H.-M.; Han, Y.","Synthesis, structure and electric properties of (Pb, Cd)-1222 phase","Diwen Wuli Xuebao","1996","18","","432","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","147457","2020-10-21","18:00:00",""
"1527158","7.345","","7.345","","7.345","","90","","90","","90","","396.256","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Ti Zr3) Zn8","","- Ti Zn8 Zr3 -","- Ti Zn8 Zr3 -","- Ti2 Zn16 Zr6 -","2","0.0104167","","Blythe, H.J.; Crangle, J.","Magnetization, ferromagnetic Curie-temperature and lattice parameter (Zr1-x Tix) Zn2 compounds","Philosophical Magazine, Serie 8(1956-)","1968","18","","1143","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527335","3.047","","3.047","","31.04","","90","","90","","120","","249.573","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na Fe2 O3","","- Fe2 Na O3 -","- Fe1.9995 Na1.0005 O3 -","- Fe7.998 Na4.002 O12 -","4","0.111111","","El Balkhi, A.M.; Zanne, M.; Gleitzer, C.; Courtois, A.","Preparation et proprietes d'un oxyde de sodium-fer(II, III): Na Fe2 O3","Journal of Solid State Chemistry","1976","18","","293","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527378","8.978","","8.978","","6.596","","90","","90","","120","","460.437","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Tb5 Tl3 -","- Tb5 Tl3 -","- Tb10 Tl6 -","2","0.0833333","","Franceschi, E.; Palenzona, A.","The crystal structure of RE5 Tl3 and Y5 Tl3 compounds","Journal of the Less-Common Metals","1969","18","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527516","8.902","","8.902","","6.536","","90","","90","","120","","448.557","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Sn3 Y5 -","- Sn3 Y5 -","- Sn6 Y10 -","2","0.0833333","","Holmen, S.","A D8(8)-type phase in the yttrium-tin system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","2394","2394","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528197","5.281","","5.281","","8.621","","90","","90","","120","","208.219","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Er Mn2 -","- Er Mn2 -","- Er4 Mn8 -","4","0.166667","","Wernick, J.H.; Haszko, S.E.","Manganese rare earth compounds with the Mg Zn2 structure","Journal of Physics and Chemistry of Solids","1961","18","","207","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528586","10.541","","10.541","","5.138","","90","","90","","90","","570.897","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Nb5 Sn2 Si","","- Nb5 Si Sn2 -","- Nb5 Si Sn2 -","- Nb20 Si4 Sn8 -","4","0.125","","Horyn, R.; Lukaszewicz, K.","The Crystal Structure of Nb5 Sn2 Si","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1970","18","","59","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529578","6.243","","6.243","","30","","90","","90","","120","","1012.6","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cs2 Na (Cr F6)","","- Cr Cs2 F6 Na -","- Cr Cs2 F6 Na -","- Cr6 Cs12 F36 Na6 -","6","0.166667","","Babel, D.; Haegele, R.","Strukturen caesiumhaltiger Fluoride, III. Die Kristallstrukturen der hexagonalen Elpasolithe: 12L-Cs2 Na Cr F6, 12L-Cs2 Na Fe F6 und 2L-Cs2 Li Ga F6","Journal of Solid State Chemistry","1976","18","","39","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529579","6.249","","6.249","","5.086","","90","","90","","120","","172","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cs2 Li (Ga F6)","","- Cs2 F6 Ga Li -","- Cs2 F6 Ga Li -","- Cs2 F6 Ga Li -","1","0.0833333","","Babel, D.; Haegele, R.","Strukturen caesiumhaltiger fluoride, III. Die kristallstrukturen der hexagonalen Elpasolithe: 12l-Cs2 Na Cr F6, 12L-Cs2 Na Fe F6 und 2L-Cs2 Li Ga F6","Journal of Solid State Chemistry","1976","18","","39","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529580","6.267","","6.267","","30.48","","90","","90","","120","","1036.73","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cs2 Na (Fe F6)","","- Cs2 F6 Fe Na -","- Cs2 F6 Fe Na -","- Cs12 F36 Fe6 Na6 -","6","0.166667","","Babel, D.; Haegele, R.","Strukturen caesiumhaltiger fluoride, III. Die Kristallstrukturen der hexagonalen Elpasolithe: 12L-Cs2 Na Cr F6, 12L-Cs2 Na Fe F6 und 2L-Cs2 Li Ga F6","Journal of Solid State Chemistry","1976","18","","39","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529626","7.98","","18.45","","7.926","","90","","117.3","","90","","1036.97","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H4)2 Te4 O9","","- H8 N2 O9 Te4 -","- N2 O9 Te4 -","- N8 O36 Te16 -","4","1","","Benmiloud, L.; Moret, J.; Maurin, M.; Philippot, E.","Etude cristallographique d'un tellurite d'ammonium: (N H4)2 Te4 O9","Revue de Chimie Minerale","1981","18","","190","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","154102","2020-10-21","18:00:00",""
"1529775","15.074","","5.694","","11.378","","90","","110.99","","90","","911.786","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ca2 Sb2 S5","","- Ca2 S5 Sb2 -","- Ca2 S5 Sb2 -","- Ca8 S20 Sb8 -","4","1","","Cordier, G.; Schaefer, H.","Ca2 Sb2 S5 - ein neues erdalkalithioantimonat(III) mit Sb2 S4-vierringen","Revue de Chimie Minerale","1981","18","","218","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","154396","2020-10-21","18:00:00",""
"1529793","7.221","","7.221","","17.556","","90","","90","","120","","792.777","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Ru2 Cl9","","- Cl9 Cs3 Ru2 -","- Cl9 Cs3 Ru2 -","- Cl18 Cs6 Ru4 -","2","0.0833333","","Darriet, J.","Crystal structure and magnetic properties of the (Ru2 Cl9)3(-)-ion in Cs3 Ru2 Cl9","Revue de Chimie Minerale","1981","18","","27","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","154422","2020-10-21","18:00:00",""
"1529798","6.91","","5.3","","9.05","","92.03","","96.87","","90.8","","328.797","","","","","","","","","","","","","4","P -1","-P 1","2","","K Nd (S O4)2","","- K Nd O8 S2 -","- K Nd O8 S2 -","- K2 Nd2 O16 S4 -","2","1","","Degtyarev, P.A.; Korytnaya, F.M.; Kovba, L.M.; Pokrovskii, A.N.","Crystal structure of the anhydrous double sulfate of potassium and neodymium K Nd (S O4)2","Vestnik Moskovskogo Universiteta, Khimiya","1977","18","","705","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529844","8.305","","8.305","","12.647","","90","","90","","90","","872.302","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Tl4 Sn S3","","- S3 Sn Tl4 -","- S3 Sn Tl4 -","- S12 Sn4 Tl16 -","4","0.25","","del Bucchia, S.; Jumas, J.C.; Philippot, E.; Maurin, M.","Etude dans le systeme (Sn S)-(Tl2 S). Structure cristalline de Tl4 Sn S3","Revue de Chimie Minerale","1981","18","","224","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529895","5.284","","5.284","","11.563","","90","","90","","90","","322.847","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Li Ce (Mo O4)2","","- Ce Li Mo2 O8 -","- Ce Li Mo2 O8 -","- Ce2 Li2 Mo4 O16 -","2","0.125","","Egorova, A.N.; Maier, A.A.; Nevskii, N.N.; Provotorov, M.V.","The crystal structure of Li Ce (Mo O4)2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1982","18","","2036","2038","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530127","6.473","","6.473","","12.439","","103.58","","101.77","","104.04","","472.293","","","","","","","","","","","","","3","P 1","P 1","1","","Rb Sb S2","","- Rb S2 Sb -","- Rb S2 Sb -","- Rb4 S8 Sb4 -","4","4","","Kanishcheva, A.S.; Kuznetsov, V.G.; Lazarev, V.B.; Tarasova, T.G.","Crystal structure of Rb Sb S2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1977","18","","1069","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530326","17.694","","3.944","","3.801","","90","","90","","90","","265.253","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Cu0.6 Nb (O2.6 F0.4)","","- Cu0.6 F0.4 Nb O2.6 -","- Cu0.6 F0.3999 Nb O2.6001 -","- Cu2.4 F1.5996 Nb4 O10.4004 -","4","0.5","","Lundberg, M.; Ndalamba Wa Ilunga, P.","The crystal structure of Cu0.6 Nb O2.6 F0.4 and its relation to the Mo O3 structure type","Revue de Chimie Minerale","1981","18","","118","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530425","12.512","","12.512","","12.512","","90","","90","","90","","1958.76","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Ca3 Sc2 (Ge O4)3","","- Ca3 Ge3 O12 Sc2 -","- Ca3 Ge3 O12 Sc2 -","- Ca24 Ge24 O96 Sc16 -","8","0.0833333","","Mill', B.V.; Belokoneva, E.L.; Simonov, M.A.; Belov, N.V.","Refined crystal structures of the scandium garnets Ca3 Sc Si3 O12, Ca3 Sc2 Ge3 O12 and Cd3 Sc2 Ge3 O12","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1977","18","","399","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","155525","2020-10-21","18:00:00",""
"1530426","12.458","","12.458","","12.458","","90","","90","","90","","1933.5","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Cd3 Sc2 (Ge O4)3","","- Cd3 Ge3 O12 Sc2 -","- Cd3 Ge3 O12 Sc2 -","- Cd24 Ge24 O96 Sc16 -","8","0.0833333","","Mill', B.V.; Belokoneva, E.L.; Belov, N.V.; Simonov, M.A.","Refined crystal structures of the scandium garnets Ca3 Sc Si3 O12, Ca3 Sc2 Ge3 O12 and Cd3 Sc2 Ge3 O12","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1977","18","","399","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","155526","2020-10-21","18:00:00",""
"1530611","4.086","","4.086","","9.162","","90","","90","","90","","152.963","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pr O I","","- I O Pr -","- I O Pr -","- I2 O2 Pr2 -","2","0.125","","Potapova, O.G.; Vasil'eva, I.G.; Borisov, S.V.","Crystal Structure of Praseodymium oxide iodide","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1977","18","","573","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530631","14.284","","5.091","","5.329","","90","","89.19","","90","","387.485","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Li Tl P O3 H","","- H Li O3 P Tl -","- H Li O3 P Tl -","- H4 Li4 O12 P4 Tl4 -","4","1","","Rafiq, M.; Durand, J.; Cot, L.","Sur quelques phosphites doubles de cations monovalents de la serie Li M P O3 H, (H2 O)x. Etude structurale de Li Tl P O3 H","Revue de Chimie Minerale","1981","18","","1","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530705","3.922","","3.922","","14.154","","90","","90","","90","","217.718","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","U Si2","","- Si2 U -","- Si2 U -","- Si8 U4 -","4","0.125","","Sasa, Y.; Uda, M.","Structure of stoichiometric U Si2","Journal of Solid State Chemistry","1976","18","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530761","9.562","","9.562","","7.075","","90","","90","","120","","560.215","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Cd Nd4 (Si O4)3 O","","- Cd Nd4 O13 Si3 -","- Cd Nd4 O13 Si3 -","- Cd2 Nd8 O26 Si6 -","2","0.166667","","Sidorov, P.M.; Fwedokov, N.F.; Belokoneva, E.L.; Simonov, H.A.; Belov, N.V.; Tunik, T.A.","Synthesis and crystal structure of Cd Nd4 (Si O4)3 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1977","18","","397","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530995","6.27","","12.808","","16.96","","90","","117.38","","90","","1209.42","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K6 Si3 O9","","- K6 O9 Si3 -","- K6 O9 Si3 -","- K24 O36 Si12 -","4","1","","Werthmann, R.; Hoppe, R.","Ueber K2 Si O3 - das erste Cyclotrisilicat eines Alkalimetalls - sowie Rb2 Si O3, Cs2 Si O3, Rb2 Ge O3 und Cs2 Ge O3","Revue de Chimie Minerale","1981","18","","593","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","156242","2020-10-21","18:00:00",""
"1531303","7.079","","7.362","","7.5824","","89.64","","88.785","","88.23","","394.878","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba (H2 Si O4)","","- Ba H2 O4 Si -","- Ba O4 Si -","- Ba4 O16 Si4 -","4","2","","Chen, Q.-W.; Wong, K.H.; Mak, C.L.; Zhou, Z.-Y.; Tang, S.-Y.; Zhu, T.","Properties and crystal structure of a novel silicate single crystal: Ba H2 Si O4","Wuji Huaxue Xuebao","2002","18","","45","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531792","17.7564","","4.2948","","7.1532","","90","","96.8797","","90","","541.577","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","H2 (Be B4 O8)","","- B4 Be H2 O8 -","- B4 Be O8 -","- B16 Be4 O32 -","4","1","","Li Hongmei; Lin Jianhua; Ju Jing","Synthesis and crystal structure of layered beryllium polyborate H2 Be B4 O8","Wuji Huaxue Xuebao","2002","18","","764","768","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532082","6.77","","6.77","","11.12","","90","","90","","120","","441.38","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","Mn12 (Mn0.5 Ca0.5) (Fe0.5 Sb0.5) Si2 O22","","- Ca0.5 Fe0.5 Mn12.5 O22 Sb0.5 Si2 -","- Ca0.5 Fe0.5 Mn12.5 O22 Sb0.5 Si2 -","- Ca0.5 Fe0.5 Mn12.5 O22 Sb0.5 Si2 -","1","0.0833333","","Rau, V.G.; Kurkutova, E.N.","Crystal structure of langbanite","Kristallografiya","1973","18","","508","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","157704","2020-10-21","18:00:00",""
"1532688","5.9411","","5.8714","","9.4212","","90","","95.232","","90","","327.266","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Pb2 Cl2 (C2 O4)","","- C2 Cl2 O4 Pb2 -","- C2 Cl2 O4 Pb2 -","- C4 Cl4 O8 Pb4 -","2","0.25","","Boudaren, C.; Auffredic, J.P.; Louer, M.; Louer, D.","A powder X-ray diffraction study of lead chloride oxalate Pb2 Cl2 (C2 O4): ab initio structure determination and thermal behaviour","Powder Diffraction","2003","18","","205","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","158644","2020-10-21","18:00:00",""
"1532761","9.0339","","9.0339","","9.0339","","90","","90","","90","","737.269","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.997 Te0.003)","","- Co Sb2.997 Te0.003 -","- Co Sb2.997 Te0.003 -","- Co8 Sb23.976 Te0.024 -","8","0.166667","","Wojciechowski, K.T.; Wegrzyn, Z.; Bucko, M.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532764","9.0419","","9.0419","","9.0419","","90","","90","","90","","739.229","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.91 Te0.09)","","- Co Sb2.91 Te0.09 -","- Co Sb2.91 Te0.09 -","- Co8 Sb23.28 Te0.72 -","8","0.166667","","Wojciechowski, K.T.; Bucko, M.; Wegrzyn, Z.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532766","9.0487","","9.0487","","9.0487","","90","","90","","90","","740.898","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.7 Te0.3)","","- Co Sb2.7 Te0.3 -","- Co Sb2.7 Te0.3 -","- Co8 Sb21.6 Te2.4 -","8","0.166667","","Wojciechowski, K.T.; Bucko, M.; Wegrzyn, Z.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532804","10.3151","","10.3151","","10.3151","","90","","90","","90","","1097.54","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Cu0.8 Co0.2) (Cr2 Se4)","","- Co0.2 Cr2 Cu0.8 Se4 -","- Co0.2 Cr2 Cu0.8 Se4 -","- Co1.6 Cr16 Cu6.4 Se32 -","8","0.0416667","","Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A.","Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","54","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","158791","2020-10-21","18:00:00",""
"1532808","6.288","","3.608","","11.728","","90","","91.304","","90","","266.005","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","(Cu0.4 Co0.6) (Cr2 Se4)","","- Co0.6 Cr2 Cu0.4 Se4 -","- Co0.6 Cr2 Cu0.4 Se4 -","- Co1.2 Cr4 Cu0.8 Se8 -","2","0.25","","Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A.","Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","54","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532850","11.795","","11.795","","11.795","","90","","90","","90","","1640.94","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","(Mo O2)0.41 (P Mo14 O42)","","- Mo14.41 O42.82 P -","- Mo14.427 O41.935 P -","- Mo28.854 O83.87 P2 -","2","0.0416667","","Marosi, L.; Cifre, J.; Otero Arean, C.","X-ray powder diffraction analysis of the heteropoly-molybdate (Mo O2)0.5 P Mo14 O42","Powder Diffraction","2003","18","","236","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533137","5.49","","7.7578","","5.5227","","90","","90","","90","","235.214","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.7 Ba0.3) Mn O3","","- Ba0.3 Mn O3 Pr0.7 -","- Ba0.3 Mn O3 Pr0.7 -","- Ba1.2 Mn4 O12 Pr2.8 -","4","0.5","","Ellouze, M.; Boujelben, W.; Fuess, H.","Rietveld refinement X-ray powder data of Pr0.7 Ba0.3 Mn O3","Powder Diffraction","2003","18","","29","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533311","5.403","","5.442","","7.693","","90","","90","","90","","226.198","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pb0.1 Ca0.9) (Ti O3)","","- Ca0.9 O3 Pb0.1 Ti -","- Ca0.9 O3 Pb0.1 Ti -","- Ca3.6 O12 Pb0.4 Ti4 -","4","0.5","","Chandra, A.; Pandey, D.","Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a Rietveld study","Journal of Materials Research","2003","18","","407","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533313","5.433","","5.459","","7.693","","90","","90","","90","","228.165","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pb0.2 Ca0.8) (Ti O3)","","- Ca0.8 O3 Pb0.2 Ti -","- Ca0.8 O3 Pb0.2 Ti -","- Ca3.2 O12 Pb0.8 Ti4 -","4","0.5","","Chandra, A.; Pandey, D.","Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a Rietveld study","Journal of Materials Research","2003","18","","407","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533315","5.489","","5.46","","7.723","","90","","90","","90","","231.458","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pb0.3 Ca0.7) (Ti O3)","","- Ca0.7 O3 Pb0.3 Ti -","- Ca0.7 O3 Pb0.3 Ti -","- Ca2.8 O12 Pb1.2 Ti4 -","4","0.5","","Chandra, A.; Pandey, D.","Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a Rietveld study","Journal of Materials Research","2003","18","","407","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533317","5.491","","5.482","","7.739","","90","","90","","90","","232.957","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pb0.4 Ca0.6) (Ti O3)","","- Ca0.6 O3 Pb0.4 Ti -","- Ca0.6 O3 Pb0.4 Ti -","- Ca2.4 O12 Pb1.6 Ti4 -","4","0.5","","Chandra, A.; Pandey, D.","Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a Rietveld study","Journal of Materials Research","2003","18","","407","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533319","5.515","","5.48","","7.75","","90","","90","","90","","234.222","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pb0.434 Ca0.566) (Ti O3)","","- Ca0.566 O3 Pb0.434 Ti -","- Ca0.566 O3 Pb0.434 Ti -","- Ca2.264 O12 Pb1.736 Ti4 -","4","0.5","","Chandra, A.; Pandey, D.","Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a Rietveld study","Journal of Materials Research","2003","18","","407","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533321","3.88","","3.88","","3.95","","90","","90","","90","","59.465","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","(Pb0.58 Ca0.42) (Ti O3)","","- Ca0.42 O3 Pb0.58 Ti -","- Ca0.42 O3 Pb0.58 Ti -","- Ca0.42 O3 Pb0.58 Ti -","1","0.125","","Chandra, A.; Pandey, D.","Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a Rietveld study","Journal of Materials Research","2003","18","","407","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533323","5.523","","5.515","","7.76","","90","","90","","90","","236.365","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pb0.578 Ca0.422) (Ti O3)","","- Ca0.422 O3 Pb0.578 Ti -","- Ca0.422 O3 Pb0.578 Ti -","- Ca1.688 O12 Pb2.312 Ti4 -","4","0.5","","Chandra, A.; Pandey, D.","Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a Rietveld study","Journal of Materials Research","2003","18","","407","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533325","3.88","","3.88","","3.97","","90","","90","","90","","59.766","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","(Pb0.61 Ca0.39) (Ti O3)","","- Ca0.39 O3 Pb0.61 Ti -","- Ca0.388 O3 Pb0.612 Ti -","- Ca0.388 O3 Pb0.612 Ti -","1","0.125","","Chandra, A.; Pandey, D.","Evolution of crystallographic phases in the system (Pb1-x Cax) Ti O3: a Rietveld study","Journal of Materials Research","2003","18","","407","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533574","6.7097","","9.9574","","15.825","","90","","93.69","","90","","1055.09","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K4 (O (V O (O2)2)2) (H2 O)","","- H2 K4 O12 V2 -","- K4 O12 V2 -","- K16 O48 V8 -","4","1","","Grzywa, M.; Rafalska-Lasocha, A.; Lasocha, W.","X-ray powder diffraction data of potassium mue-oxo-bis(oxodiperoxovanadate)(4-) hydrate K4 (O (V O (O2)2)2) (H2 O)","Powder Diffraction","2003","18","","248","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","159828","2020-10-21","18:00:00",""
"1533965","7.9855","","7.9855","","7.9855","","90","","90","","90","","509.221","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","(Ba0.1 La0.9) (Mg0.633 Nb0.367) O3","","- Ba0.1 La0.9 Mg0.633 Nb0.367 O3 -","- Ba0.1 La0.9 Mg0.63335 Nb0.36665 O3 -","- Ba0.8 La7.2 Mg5.0668 Nb2.9332 O24 -","8","0.0416667","","Park Hyun Min; Lee Hwack Joo; Cho Yang Koo","Crystal structuures of (Ba1-x Lax) (Mg1/3+x/3 Nb2/3-x/3) O3 with 0.9 <= x <= 1.0","Journal of Materials Research","2003","18","","1003","1010","","","","","","","","","","","","","","","","","","","","","","has coordinates","160256","2020-10-21","18:00:00",""
"1533967","5.6415","","5.6606","","7.9825","","90","","89.92","","90","","254.915","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Ba0.1 La0.9) (Mg0.633 Nb0.367) O3","","- Ba0.1 La0.9 Mg0.633 Nb0.367 O3 -","- Ba0.1 La0.9 Mg0.63335 Nb0.36665 O3 -","- Ba0.4 La3.6 Mg2.5334 Nb1.4666 O12 -","4","1","","Park Hyun Min; Lee Hwack Joo; Cho Yang Koo","Crystal structuures of (Ba1-x Lax) (Mg1/3+x/3 Nb2/3-x/3) O3 with 0.9 <= x <= 1.0","Journal of Materials Research","2003","18","","1003","1010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533969","7.9855","","7.9855","","7.9855","","90","","90","","90","","509.221","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","La (Mg0.667 Nb0.333) O3","","- La Mg0.667 Nb0.333 O3 -","- La Mg0.66665 Nb0.33335 O3 -","- La8 Mg5.3332 Nb2.6668 O24 -","8","0.0416667","","Park Hyun Min; Lee Hwack Joo; Cho Yang Koo","Crystal structuures of (Ba1-x Lax) (Mg1/3+x/3 Nb2/3-x/3) O3 with 0.9 <= x <= 1.0","Journal of Materials Research","2003","18","","1003","1010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533974","5.6133","","5.6585","","7.9529","","90","","89.96","","90","","252.607","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La (Mg0.667 Nb0.333) O3","","- La Mg0.667 Nb0.333 O3 -","- La Mg0.66665 Nb0.33335 O3 -","- La4 Mg2.6666 Nb1.3334 O12 -","4","1","","Park Hyun Min; Cho Yang Koo; Lee Hwack Joo","Crystal structuures of (Ba1-x Lax) (Mg1/3+x/3 Nb2/3-x/3) O3 with 0.9 <= x <= 1.0","Journal of Materials Research","2003","18","","1003","1010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534144","17.718","","17.897","","7.428","","90","","116.42","","90","","2109.4","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ca1.16 (Al2 Si6.95 O18) (H2 O)6","","- Al2 Ca1.16 H12 O24 Si6.95 -","- Al2.05 Ca1.16 O24.01 Si6.95 -","- Al8.2 Ca4.64 O96.04 Si27.8 -","4","0.5","","Alberti, A.","On the crystal structure of the zeolite heulandite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","18","","129","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534270","2.82","","2.82","","19.9","","90","","90","","120","","137.051","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(H3 O).2 Ni O2","","- H0.6 Ni O2.2 -","- Ni O2.2 -","- Ni3 O6.6 -","3","0.0833333","","Bityutskii, P.N.; Khitrova, V.I.; Pinsker, Z.G.","Structure of nickel hydroxide containing potassium ions","Kristallografiya","1973","18","","978","983","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534437","7.572","","7.572","","10.8","","90","","90","","90","","619.22","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","K2 (Te Br6)","","- Br6 K2 Te -","- Br6 K2 Te -","- Br12 K4 Te2 -","2","0.125","","Abriel, W.","Polymorphism and phase transitions of K2 Te Br6 (293-473 K)","Materials Research Bulletin","1983","18","","1419","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534502","11.8","","6","","8.125","","90","","90","","90","","575.25","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na K (Sn F6)","","- F6 K Na Sn -","- F6 K Na Sn -","- F24 K4 Na4 Sn4 -","4","1","","Gerasimenko, A.V.; Sergienko, V.I.; Ivanov, S.B.; Antokhina, T.F.","Crystal structure of NaKSnF6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","129","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534505","8.156","","13.129","","10.958","","90","","90","","90","","1173.38","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Na Rb (Sn F6)","","- F6 Na Rb Sn -","- F6 Na Rb Sn -","- F48 Na8 Rb8 Sn8 -","8","1","","Gerasimenko, A.V.; Ivanov, S.B.; Sergienko, V.I.; Antokhina, T.F.","Crystal structures of Na Rb Sn F6 and Na Cs Sn F6.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","1139","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534509","8.352","","13.389","","11.206","","90","","90","","90","","1253.11","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Na Cs (Sn F6)","","- Cs F6 Na Sn -","- Cs F6 Na Sn -","- Cs8 F48 Na8 Sn8 -","8","1","","Gerasimenko, A.V.; Ivanov, S.B.; Antokhina, T.F.; Sergienko, V.I.","Crystal structures of NaRbSnF6 and NaCsSnF6.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","1139","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534749","5.216","","9.005","","10.084","","90","","100.72","","90","","465.38","","","","","","","","","","","","","8","C 1 2 1","C 2y","5","","K (Al1.13 Li1.48 Mg0.39) (Al0.57 Si3.43 O10) (F1.62 (O H)0.38)","","- Al1.7 F1.62 H0.38 K Li1.48 Mg0.39 O10.38 Si3.43 -","- Al1.7 F1.62 K Li1.48 Mg0.39 O10.38 Si3.43 -","- Al3.4 F3.24 K2 Li2.96 Mg0.78 O20.76 Si6.86 -","2","0.5","","Backhaus, K.O.","Structure refinement of an 1 M-Lepidolite","Crystal Research and Technology","1983","18","","1253","1260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535014","9.816","","10.33","","15.161","","90","","90","","90","","1537.31","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Cs2 (B12 F12) (H2 O)","","- Cs2 O -","- Cs2 O -","- Cs8 O4 -","4","1","","Solntsev, K.A.; Mebel, A.M.; Votinova, N.A.; Kuznetsov, N.T.; Charkin, O.P.","Polyhedral anion (B12 H12)2- as a space-aromatic system.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","340","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535016","9.338","","10.298","","14.943","","90","","90","","90","","1436.96","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cs2 (B12 H5 F7.09) (H2 O)","","- B12 Cs2 F7.09 H7 O -","- B12 Cs2 F7.09 H3 O -","- B48 Cs8 F28.36 H12 O4 -","4","1","","Solntsev, K.A.; Charkin, O.P.; Mebel, A.M.; Kuznetsov, N.T.; Votinova, N.A.","Polyhedral anion (B12 H12)2- as a space-aromatic system.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","340","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535405","9.882","","9.882","","3.59","","90","","90","","120","","303.609","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Tl.76 Ti6 Se8","","- Se8 Ti6 Tl0.76 -","- Se8 Ti6 Tl0.76 -","- Se8 Ti6 Tl0.76 -","1","0.0833333","","Boller, H.; Klepp, K.O.","Tlx Ti6 Se8 and Tlx Nb6 Se8, two phases with filled up Nb3 Te4 type of structure showing pronounced disorder","Materials Research Bulletin","1983","18","","437","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","162754","2020-10-21","18:00:00",""
"1535406","10.033","","10.033","","3.475","","90","","90","","120","","302.933","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Tl0.7 Nb6 Se8","","- Nb6 Se8 Tl0.7 -","- Nb6 Se8 Tl0.7 -","- Nb6 Se8 Tl0.7 -","1","0.0833333","","Boller, H.; Klepp, K.O.","Tlx Ti6 Se8 and Tlx Nb6 Se8, two phases with filled up Nb3Te4-type of structure showing pronounced disorder","Materials Research Bulletin","1983","18","","437","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","162758","2020-10-21","18:00:00",""
"1535494","7.181","","8.796","","5.211","","94.04","","85.27","","58.61","","277.519","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs ((Zr F3 (H2 O)) F2)","","- Cs F5 H2 O Zr -","- Cs F5 O Zr -","- Cs2 F10 O2 Zr2 -","2","1","","Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.","Crystal structure of cesium pentafluorozirconate hydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","38","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535498","15.088","","12.614","","6.798","","90","","90","","108.08","","1229.91","","","","","","","","","","","","","5","P 1 1 21/m","-P 2c","11","","Cs5 (Zr4 F21 (H2 O)3)","","- Cs5 F21 H6 O3 Zr4 -","- Cs5 F21 H6 O3 Zr4 -","- Cs10 F42 H12 O6 Zr8 -","2","0.5","","Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.","Crystal structure of new cesium fluorozirconate Cs5Zr4F21(H2O)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","42","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535612","4.1617","","4.1617","","9.8481","","90","","90","","90","","170.567","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ce Os2 Si2","","- Ce1.02 Os2.04 Si2 -","- Ce1.02 Os2.04 Si2 -","- Ce2.04 Os4.08 Si4 -","2","0.0625","","Horvath, C.E.; Rogl, P.","Refinement of the crystal structure of Ce Os2 Si2 (Th Cr2 Si2 Type)","Materials Research Bulletin","1983","18","","443","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","163040","2020-10-21","18:00:00",""
"1535714","17.97","","4.11","","17.62","","90","","94.3","","90","","1297.69","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Cu Pb3 Bi7 Se4 S10","","- Bi7 Cu Pb3 S10 Se4 -","- Bi7 Cu Pb3 S10 Se4 -","- Bi14 Cu2 Pb6 S20 Se8 -","2","0.5","","Mumme, W.G.","The crystal structure of nordstroemite Cu Pb3 Bi7 (S, Se)14, from Falun, Sweden: A member of the junoite homologous series","Canadian Mineralogist","1980","18","","343","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536092","11.718","","8.267","","9.871","","90","","118.55","","90","","839.953","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ni Co (P4 O12)","","- Co Ni O12 P4 -","- Co Ni O12 P4 -","- Co4 Ni4 O48 P16 -","4","0.5","","Nord, A.G.","Neutron diffraction studies of Ni Co P4 O12 and Ni Zn P4 O12","Materials Research Bulletin","1983","18","","765","773","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536094","11.689","","8.277","","9.87","","90","","118.55","","90","","838.803","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ni Zn (P4 O12)","","- Ni O12 P4 Zn -","- Ni O12 P4 Zn -","- Ni4 O48 P16 Zn4 -","4","0.5","","Nord, A.G.","Neutron diffraction studies of Ni Co P4 O12 and Ni Zn P4 O12","Materials Research Bulletin","1983","18","","765","773","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536266","5.4001","","5.4001","","11.6661","","90","","90","","90","","340.196","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","La (Nb O4)","","- La Nb O4 -","- La Nb O4 -","- La4 Nb4 O16 -","4","0.25","","David, W.I.F.","The high-temperature paraelastic structure of La Nb O4","Materials Research Bulletin","1983","18","","749","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536268","5.4722","","5.1491","","11.2857","","90","","90","","85.458","","316.997","","","","","","","","","","","","","3","C 1 2/c 1 (c,a+c,b)","-C 2yc (-x+z,x,y)","15","","Nd (Nb O4)","","- Nb Nd O4 -","- Nb Nd O4 -","- Nb4 Nd4 O16 -","4","","","David, W.I.F.","Transition temperature -spontaneous strain- atomic displacement relationships in ferroelectrics","Materials Research Bulletin","1983","18","","809","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536650","7.449","","7.449","","9.885","","90","","90","","120","","475.011","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- In P3 -","- In P3 -","- In6 P18 -","6","0.166667","","Kinomura, N.; Terao, K.; Kikkawa, S.; Koizumi, M.; Horiuchi, H.","Synthesis and Crystal Structure of In P3","Materials Research Bulletin","1983","18","","53","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536821","8.93","","8.93","","8.93","","90","","90","","90","","712.122","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Tb3 Ni6 Al2 D0.3","","- Al2 D0.3 Ni6 Tb3 -","- Al2 D0.2795 Ni6 Tb3 -","- Al8 D1.118 Ni24 Tb12 -","4","0.0416667","","Yartys', V.A.; Khidirov, I.; Pavlenko, V.V.","Crystal structure of deuterides Tb3Ni6Al2Dx (x=0.3,0.5) based on intermetallic Tb3Ni6Al2 with Ca3Ag8 structural type","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","428","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536824","9.841","","9.841","","9.841","","90","","90","","90","","953.054","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Tb3 Ni6 Al2 D0.5","","- Al2 D0.5 Ni6 Tb3 -","- Al2 D0.5055 Ni6 Tb3 -","- Al8 D2.022 Ni24 Tb12 -","4","0.0416667","","Yartys', V.A.; Pavlenko, V.V.; Khidirov, I.","Crystal structure of deuterides Tb3Ni6Al2Dx (x=0.3,0.5) based on intermetallic Tb3Ni6Al2 with Ca3Ag8 structural type","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","428","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536831","9.193","","9.193","","22.289","","90","","90","","120","","1631.31","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na4 Zr2 (Si O4)3","","- Na4 O12 Si3 Zr2 -","- Na4 O12 Si3 Zr2 -","- Na24 O72 Si18 Zr12 -","6","0.166667","","Kohler, H.; Schulz, H.; Mel'nikov, O.K.","Structural Investigations of Nasicon (Na1+x Zr2 Six P3-x O12; x=3) with X-Ray Diffraction at 298 K and 403K","Materials Research Bulletin","1983","18","","589","592","","","","","","","","","","","","","","","","","","","","","","has coordinates","164710","2020-10-21","18:00:00",""
"1537039","21.579","","21.336","","12.736","","90","","90","","90","","5863.78","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Eu Ga2 Se4 -","- Eu Ga2 Se4 -","- Eu32 Ga64 Se128 -","32","1","","Rimet, R.; Roques, R.; Declercq, J.P.; Zanchetta, J.V.; Germain, G.","Structure cristalline et proprietes magnetiques de Eu Ga2 Se4","Revue de Chimie Minerale","1981","18","","277","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537117","5.06","","9.56","","13.72","","90","","95.5","","90","","660.63","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Li2 (Te O3)","","- Li2 O3 Te -","- Li2 O3 Te -","- Li8 O12 Te4 -","4","0.5","","Kuban, R.J.","OD interpretation of the crystal structure of lithium tellurite, Li2 Te O3","Crystal Research and Technology","1983","18","","85","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537513","7.683","","7.426","","4.889","","90","","90","","90","","278.937","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","(Mo O2) (P O3)2","","- Mo O8 P2 -","- Mo O8 P2 -","- Mo2 O16 P4 -","2","0.25","","Kierkegaard, P.","On the crystal structure of Mo O2 (P O3)2","Arkiv foer Kemi","1961","18","","521","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537515","12.1","","11.96","","6.364","","90","","90.75","","90","","920.894","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na (W O2) (P O4)","","- Na O6 P W -","- Na O6 P W -","- Na8 O48 P8 W8 -","8","2","","Kierkegaard, P.","The crystal structure of Na W O2 P O4 and Na Mo O2 P O4","Arkiv foer Kemi","1962","18","","553","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537516","12.08","","11.96","","6.359","","90","","91.19","","90","","918.53","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na (Mo O2) (P O4)","","- Mo Na O6 P -","- Mo Na O6 P -","- Mo8 Na8 O48 P8 -","8","2","","Kierkegaard, P.","The crystal structure of Na W O2 P O4 and Na Mo O2 P O4","Arkiv foer Kemi","1962","18","","553","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537525","3.767","","3.767","","8.285","","90","","90","","90","","117.567","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","U Si S","","- S Si U -","- S Si U -","- S2 Si2 U2 -","2","0.125","","Klein Haneveld, A.J.; Jellinek, F.","Some ternary uranium chalcogenides","Journal of the Less-Common Metals","1969","18","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537526","3.8112","","3.8112","","8.3054","","90","","90","","90","","120.638","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","U Ge S","","- Ge S U -","- Ge S U -","- Ge2 S2 U2 -","2","0.125","","Klein Haneveld, A.J.; Jellinek, F.","Some ternary uranium chalkogenides","Journal of the Less-Common Metals","1969","18","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537527","4.2596","","4.2596","","9.1313","","90","","90","","90","","165.68","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","U Sn Te","","- Sn Te U -","- Sn Te U -","- Sn2 Te2 U2 -","2","0.125","","Klein Haneveld, A.J.; Jellinek, F.","Some ternary uranium chalcogenides","Journal of the Less-Common Metals","1969","18","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537528","4.3185","","4.3185","","9.057","","90","","90","","90","","168.908","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","U Sb Te","","- Sb Te U -","- Sb Te U -","- Sb2 Te2 U2 -","2","0.125","","Klein Haneveld, A.J.; Jellinek, F.","Some ternary uranium chalcogenides","Journal of the Less-Common Metals","1969","18","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537529","4.243","","4.243","","8.946","","90","","90","","90","","161.055","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","U Te1.87","","- Te1.87 U -","- Te1.876 U -","- Te3.752 U2 -","2","0.125","","Klein Haneveld, A.J.; Jellinek, F.","Some ternary uranium chalcogenides","Journal of the Less-Common Metals","1969","18","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537530","3.9323","","3.9323","","16.969","","90","","90","","90","","262.391","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","U Ge Se","","- Ge Se U -","- Ge Se U -","- Ge4 Se4 U4 -","4","0.125","","Klein Haneveld, A.J.; Jellinek, F.","Some ternary uranium chalcogenides","Journal of the Less-Common Metals","1969","18","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537531","4.1058","","4.1058","","17.6014","","90","","90","","90","","296.717","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","U Ge Te","","- Ge Te U -","- Ge Te U -","- Ge4 Te4 U4 -","4","0.125","","Klein Haneveld, A.J.; Jellinek, F.","Some ternary uranium chalcogenides","Journal of the Less-Common Metals","1969","18","","123","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537624","17.718","","17.897","","7.428","","90","","116.42","","90","","2109.4","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Ca1.23 (Al2 Si7 O18) (H2 O)6","","- Al2 Ca1.23 H12 O24 Si7 -","- Al2.05 Ca1.235 O23.975 Si6.95 -","- Al8.2 Ca4.94 O95.9 Si27.8 -","4","1","","Alberti, A.","On the crystal structure of the zeolite heulandite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","18","","129","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537693","24.4","","5.45","","6.7","","90","","90","","90","","890.966","","","","","","","","","","","","","2","P n 21 a","P -2ac -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Asbrink, S.; Kihlborg, L.","A study of the crystal symmetry and structure of orthorhombic Mo4 O11 by least-squares techniques","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1571","1573","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537987","9.198","","9.198","","11.442","","90","","90","","120","","838.338","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo6 Pb S8 -","- Mo6 Pb S8 -","- Mo18 Pb3 S24 -","3","0.166667","","Fedorov, V.E.; Mishchenko, A.V.; Kirik, S.D.; Logvinenko, Z.M.","Stoichiometry of ternary molybdenum sulfide Pb Mo6 S8","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1982","18","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538064","4.91304","","4.91304","","5.40463","","90","","90","","120","","112.979","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Hanic, F.; Sumichrast, L.","Alpha-beta phase transition in quartz","Silikaty","1974","18","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538075","5.2643","","5.2643","","5.2643","","90","","90","","90","","145.889","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Nb3 Sb -","- Nb3 Sb -","- Nb6 Sb2 -","2","0.0416667","","Furuseth, S.; Kjekshus, A.","On the arsenides and antimonides of niobium","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1180","1195","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538078","10.314","","10.314","","3.5566","","90","","90","","90","","378.346","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Nb5 Sb4 -","- Nb5 Sb4 -","- Nb10 Sb8 -","2","0.125","","Furuseth, S.; Kjekshus, A.","On the arsenides and antimonides of niobium","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1180","1195","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538155","14.18","","15.48","","13.7","","90","","90","","117","","2679.47","","","","","","","","","","","","","6","B 1 1 2/m","-B 2","12","","Na2.736 K4.61 Ti8.72 (O H)2 (Si16 O56) (H2 O)7.84","","- H17.68 K4.61 Na2.736 O65.84 Si16 Ti8.72 -","- K4.61 Na2.736 O64.836 Si16 Ti8.72 -","- K9.22 Na5.472 O129.672 Si32 Ti17.44 -","2","0.25","","Golovastikov, N.I.","Crystal structure of the alkali titanosilicate labuntsovite","Kristallografiya","1973","18","","950","955","","","","","","","","","","","","","","","","","","","","","","has coordinates","209184","2020-10-21","18:00:00",""
"1538466","11.88","","6.95","","14.13","","90","","123.73","","90","","970.267","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Fe2 Te4 O11","","- Fe2 O11 Te4 -","- Fe2 O11 Te4 -","- Fe8 O44 Te16 -","4","1","","Pertlik, F.","Die Kristallstruktur von Fe2 Te4 O11","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","18","","39","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","167033","2020-10-21","18:00:00",""
"1538610","3.785","","3.785","","3.785","","90","","90","","90","","54.225","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni Pt -","- Ni Pt -","- Ni2 Pt2 -","2","0.0104167","","Leroux, C.; Cadeville, M.C.; Inden, G.; Pierron-Bohnes, V.; Hinz, F.","Comparative investigation of structural transport properties of L10 Ni Pt and Co Pt phases; the role of magnetism","Journal of Physics F","1988","18","","2033","2051","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538767","3.9579","","3.9579","","3.9579","","90","","90","","90","","62","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Sc -","- Pd3 Sc -","- Pd3 Sc -","1","0.0208333","","Norman, M.; Harris, I.R.","A study of some palladium-scandium, -zirconium and -gadolinium alloys","Journal of the Less-Common Metals","1969","18","","333","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539220","5.086","","5.086","","25.01","","90","","90","","120","","560.27","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- La Ni3 -","- La Ni3 -","- La9 Ni27 -","9","0.25","","Virkar, A.V.; Raman, A.","Crystal structures of AB3 and A2B7 rare earth-nickel phases","Journal of the Less-Common Metals","1969","18","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539222","4.926","","4.926","","3.957","","90","","90","","120","","83.154","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Nd Ni5 -","- Nd Ni5 -","- Nd Ni5 -","1","0.0416667","","Virkar, A.V.; Raman, A.","Crystal structures of AB3 and A2B7 rare earth-nickel phases","Journal of the Less-Common Metals","1969","18","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539286","10.86","","35.45","","8.16","","90","","90","","90","","3141.49","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tl Pb As5 S9","","- As5 Pb S9 Tl -","- As5 Pb S9 Tl -","- As40 Pb8 S72 Tl8 -","8","1","","Takeuchi, Y.; Nowacki, W.; Ghose, S.","The crystal structure of the thallium-lead sulfosalt hutchinsonite","Chimia","1964","18","","215","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539310","3.442","","3.442","","12.54","","90","","90","","120","","128.662","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Nb Se2 -","- Nb Se2 -","- Nb2 Se4 -","2","0.0833333","","Selte, K.; Kjekshus, A.","On the structural properties of the Nb1+x Se2 phase","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","697","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539312","6.499","","6.499","","6.837","","90","","90","","90","","288.774","","","","","","","","","","","","","2","P 4 c c","P 4 -2c","103","","","","- Nb Te4 -","- Nb Te4 -","- Nb2 Te8 -","2","0.25","","Selte, K.; Kjekshus, A.","On the crystal structure of Nb Te4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539469","3.81","","3.81","","14.91","","90","","90","","120","","187.438","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","In Tl S2","","- In S2 Tl -","- In S2 Tl -","- In2 S4 Tl2 -","2","0.166667","","Agaev, K.A.; Gasymov, V.A.; Chiragov, M.I.","Electron-diffraction investigation of the structure of thin Tl In S2 films","Soviet Physics, Crystallography (= Kristallografiya)","1973","18","","226","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539535","6.242","","6.242","","6.242","","90","","90","","90","","243.204","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mn Rh2 Sn -","- Mn Rh2 Sn -","- Mn4 Rh8 Sn4 -","4","0.0208333","","Suits, J.C.","Structural instability in new magnetic Heusler compounds","Solid State Communications","1976","18","","423","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539607","24.49","","6.752","","5.457","","90","","90","","90","","902.35","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Asbrink, S.; Kihlborg, L.","A study of the crystal symmetry and structure of orthorhombic Mo4 O11 by least-squares techniques","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1571","1573","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539714","3.838","","3.838","","3.838","","90","","90","","90","","56.535","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Th Te","","- Te Th -","- Te Th -","- Te Th -","1","0.0208333","","Ferro, R.","Thorium monotelluride and thorium mono-oxytelluride","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1955","18","","641","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540034","8.8018","0.0015","9.2775","0.0016","11.3673","0.0019","82.433","0.002","68.031","0.002","67.635","0.002","796","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 F6 N8 O4 Zn -","- C32 H28 F6 N8 O4 Zn -","- C32 H28 F6 N8 O4 Zn -","1","0.5","","Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi","A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand","Green Chem.","2016","18","6","1524","","10.1039/C5GC02056E","","","0.71075","MoKα","","0.0265","0.0264","","","0.0723","0.0726","","","","","","0.966","","","","has coordinates","181749","2020-10-21","18:00:00",""
"1540035","14.5768","0.0012","8.9341","0.0007","15.9047","0.0013","90","","103.294","0.001","90","","2015.8","0.3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 F6 N8 O4 Zn -","- C40 H44 F6 N8 O4 Zn -","- C80 H88 F12 N16 O8 Zn2 -","2","0.5","","Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi","A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand","Green Chem.","2016","18","6","1524","","10.1039/C5GC02056E","","","0.71075","MoKα","","0.0386","0.037","","","0.1","0.102","","","","","","1.06","","","","has coordinates","181749","2020-10-21","18:00:00",""
"1540036","9.7675","0.0012","11.262","0.0014","11.576","0.0014","98.815","0.001","107.953","0.001","112.944","0.001","1059.8","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F6 N4 O4 Zn -","- C18 H14 F6 N4 O4 Zn -","- C36 H28 F12 N8 O8 Zn2 -","2","1","","Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi","A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand","Green Chem.","2016","18","6","1524","","10.1039/C5GC02056E","","","0.71075","MoKα","","0.0269","0.0256","","","0.0663","0.0681","","","","","","1.066","","","","has coordinates","181749","2020-10-21","18:00:00",""
"1540663","12.0935","0.0006","34.0051","0.0017","31.9458","0.0016","90","","93.564","0.003","90","","13112","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N8 O8 Zn2 -","- C44 H40 N8 O8 Zn2 -","- C352 H320 N64 O64 Zn16 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1069","0.0535","","","0.1332","0.1446","","","","","","0.889","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540664","19.5006","0.0005","20.5981","0.0006","18.7188","0.0005","90","","116.064","0.001","90","","6754.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H88 N12 O18 Zn2 -","- C60 H76 N12 O18 Zn2 -","- C240 H304 N48 O72 Zn8 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1227","0.0701","","","0.1779","0.2044","","","","","","1.108","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540665","18.6866","0.0013","15.8553","0.0012","22.302","0.002","90","","90","","90","","6607.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N4 O4 Zn -","- C22 H20 N4 O4 Zn -","- C176 H160 N32 O32 Zn8 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.2215","0.1201","","","0.3174","0.3491","","","","","","1.024","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540666","9.987","0.004","22.605","0.012","17.815","0.006","90","","121.513","0.017","90","","3429","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N4 O4 Zn -","- C37 H35 N4 O4 Zn -","- C148 H140 N16 O16 Zn4 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1547","0.0677","","","0.1388","0.1801","","","","","","1.021","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540667","10.3361","0.0004","20.4349","0.0007","16.2418","0.0005","90","","91.807","0.002","90","","3428.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H81 N9 O13 Zn2 -","- C60 H73 N9 O13 Zn2 -","- C120 H146 N18 O26 Zn4 -","2","0.5","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1281","0.0782","","","0.2376","0.2753","","","","","","1.095","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540687","9.5101","0.0002","12.7112","0.0003","15.1706","0.0003","111.283","0.001","95.486","0.001","107.579","0.001","1584.95","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 Fe O4 S -","- C41 H34 Fe O4 S -","- C82 H68 Fe2 O8 S2 -","2","1","","Del Hoyo, Ana M.; Urbano, Antonio; Carreño, M Carmen","Enantioselective Synthesis of Four Stereoisomers of Sulfinyl Ferrocenyl Quinones with Central, Planar, and Helical Chirality.","Organic letters","2016","18","1","20","23","10.1021/acs.orglett.5b03029","","","0.71073","","","0.0746","0.0421","","","0.1175","0.1503","","","","","","1.103","","","","has coordinates","175822","2020-10-21","18:00:00",""
"1540692","7.72422","0.0001","8.94615","0.00012","17.2197","0.0002","90","","101.049","0.0013","90","","1167.86","0.03","288.94","0.1","288.94","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","2","","Xiao, Wei; Yin, Xiang; Zhou, Zhi; Du, Wei; Chen, Ying-Chun","Asymmetric α,γ-Regioselective [3 + 3] Formal Cycloadditions of α,β-Unsaturated Aldehydes via Cascade Dienamine-Dienamine Catalysis.","Organic letters","2016","18","1","116","119","10.1021/acs.orglett.5b03355","","x-ray","1.54184","CuKα","","0.0319","0.0304","","","0.0856","0.0874","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540693","19.477","0.002","24.208","0.002","13.2882","0.0016","90","","131.418","0.006","90","","4698.4","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H45 Cl9 N6 O6 -","- C39 H43.5 Cl9 N6 O6 -","- C156 H174 Cl36 N24 O24 -","4","1","","Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy","Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.","Organic letters","2016","18","1","12","15","10.1021/acs.orglett.5b02989","","","0.71073","MoKα","","0.1054","0.0844","","","0.1825","0.1957","","","","","","1.034","","","","has coordinates,has disorder","175824","2020-10-21","18:00:00",""
"1540694","19.47","0.003","24.1563","0.0014","13.2943","0.0017","90","","131.46","0.02","90","","4685.8","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H45 Cl9 N6 O6 -","- C39 H44 Cl9 N6 O6 -","- C156 H176 Cl36 N24 O24 -","4","1","","Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy","Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.","Organic letters","2016","18","1","12","15","10.1021/acs.orglett.5b02989","","","0.71073","MoKα","","0.1077","0.0864","","","0.1773","0.1961","","","","","","1.009","","","","has coordinates,has disorder","175824","2020-10-21","18:00:00",""
"1540737","8.8043","0.0013","11.5507","0.0016","24.957","0.003","90","","90","","90","","2538","0.6","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 Br O4 -","- C10 H17 Br O4 -","- C80 H136 Br8 O32 -","8","2","","Shim, Su Yong; Kim, Jae Yeon; Nam, Miso; Hwang, Geum-Sook; Ryu, Do Hyun","Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters Catalyzed by Chiral Oxazaborolidinium Ion: Total Synthesis of (+)-Hamavellone B.","Organic letters","2016","18","2","160","163","10.1021/acs.orglett.5b02970","","","0.71073","MoKα","","0.0729","0.0362","","","0.0595","0.0687","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540738","11.0816","0.0006","26.6736","0.0015","9.2178","0.0005","90","","107.909","0.001","90","","2592.6","0.2","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Br N3 O -","- C33 H24 Br N3 O -","- C132 H96 Br4 N12 O4 -","4","1","","Mazaheripour, Amir; Dibble, David J.; Umerani, Mehran J.; Park, Young S.; Lopez, Robert; Laidlaw, Dylan; Vargas, Eriberto; Ziller, Joseph W.; Gorodetsky, Alon A.","An Aza-Diels-Alder Approach to Crowded Benzoquinolines.","Organic letters","2016","18","2","156","159","10.1021/acs.orglett.5b02939","","","0.71073","MoKα","","0.0329","0.0276","","","0.0698","0.0722","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540739","7.8355","0.0004","11.0538","0.0006","12.4164","0.0007","101.799","0.0005","91.9711","0.0006","102.741","0.0006","1023.2","0.1","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 Br N -","- C25 H28 Br N -","- C50 H56 Br2 N2 -","2","1","","Mazaheripour, Amir; Dibble, David J.; Umerani, Mehran J.; Park, Young S.; Lopez, Robert; Laidlaw, Dylan; Vargas, Eriberto; Ziller, Joseph W.; Gorodetsky, Alon A.","An Aza-Diels-Alder Approach to Crowded Benzoquinolines.","Organic letters","2016","18","2","156","159","10.1021/acs.orglett.5b02939","","","0.71073","MoKα","","0.0225","0.0212","","","0.0561","0.0567","","","","","","1.112","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540740","14.031","0.0007","8.951","0.0003","20.9862","0.0011","90","","106.794","0.006","90","","2523.3","0.2","293.33","0.1","293.33","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N2 O2 P -","- C32 H27 N2 O2 P -","- C128 H108 N8 O8 P4 -","4","1","","Hua, Hui-Liang; Zhang, Bo-Sheng; He, Yu-Tao; Qiu, Yi-Feng; Wu, Xin-Xing; Xu, Peng-Fei; Liang, Yong-Min","Silver-Catalyzed Oxidative Cyclization of Propargylamide-Substituted Indoles: Synthesis of Phosphorated Indoloazepinones Derivatives.","Organic letters","2016","18","2","216","219","10.1021/acs.orglett.5b03329","","x-ray","0.71073","MoKα","","0.0916","0.0575","","","0.1134","0.1396","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540741","6.163","0.002","13.541","0.005","12.998","0.005","90","","101.222","0.006","90","","1064","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Shu, Wen-Ming; Ma, Jun-Rui; Zheng, Kai-Lu; Wu, An-Xin","Multicomponent Coupling Cyclization Access to Cinnolines via in Situ Generated Diazene with Arynes, and α-Bromo Ketones.","Organic letters","2016","18","2","196","199","10.1021/acs.orglett.5b03236","","","0.71073","MoKα","","0.1048","0.067","","","0.195","0.2296","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540742","8.322","0.006","21.996","0.016","11.667","0.009","90","","107.208","0.008","90","","2040","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Chen, Xun; Hu, Xinwei; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Rh(III)-Catalyzed [4 + 2] Annulation of Indoles with Diazo Compounds: Access to Pyrimido[1,6-a]indole-1(2H)-ones.","Organic letters","2016","18","2","192","195","10.1021/acs.orglett.5b03231","","","0.71073","MoKα","","0.0613","0.0452","","","0.123","0.1372","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540743","9.3895","0.0005","11.8119","0.0006","16.7592","0.0008","90","","119.122","0.003","90","","1623.76","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N O5 P -","- C15 H20 N O5 P -","- C60 H80 N4 O20 P4 -","4","1","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.","Organic letters","2016","18","2","292","295","10.1021/acs.orglett.5b03462","","","0.71073","MoKα","","0.0829","0.0789","","","0.1551","0.1573","","","","","","1.178","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540744","13.0925","0.00009","11.3675","0.00008","17.0939","0.00012","90","","90.408","0.001","90","","2544","0.03","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Ag2 F12 Ir2 N2 O10 -","- C44 H46 Ag2 F12 Ir2 N2 O10 -","- C88 H92 Ag4 F24 Ir4 N4 O20 -","2","0.5","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.","Organic letters","2016","18","2","292","295","10.1021/acs.orglett.5b03462","","","1.54178","CuKα","","0.0462","0.0419","","","0.1099","0.1139","","","","","","1.07","","","","has coordinates","175820","2020-10-21","18:00:00",""
"1540745","7.016","0.004","11.027","0.004","11.187","0.004","107.843","0.004","94.401","0.007","92.67","0.02","819.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O7 P -","- C15 H20 N O7 P -","- C30 H40 N2 O14 P2 -","2","1","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.","Organic letters","2016","18","2","292","295","10.1021/acs.orglett.5b03462","","","0.71073","MoKα","","0.0663","0.0507","","","0.107","0.1142","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540746","14.3558","0.0014","4.7227","0.0004","24.973","0.002","90","","105.882","0.004","90","","1628.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Methyl 2-(2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)acetate","Methyl 2-(2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)acetate","","- C19 H14 F2 N2 O3 -","- C19 H14 F2 N2 O3 -","- C76 H56 F8 N8 O12 -","4","1","","Padala, Anil K.; Kumar, Raju Ranjith; Athimoolam, S.; Ahmed, Qazi Naveed","Divergent Reactivity of Amino Acid Alkyl Ester Hydrochlorides with 2-Oxoaldehydes: Role of Selenium Dioxide To Promote Regioselective Synthesis of Imidazoles.","Organic letters","2016","18","1","96","99","10.1021/acs.orglett.5b03321","","","0.71073","MoKα","","0.1071","0.0423","","","0.0985","0.1266","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540819","5.09","","5.09","","14.4","","90","","90","","120","","323.094","","","","","","","","","","","","","2","P 31","P 31","144","","V6 C5","","- C5 V6 -","- C5 V6 -","- C15 V18 -","3","1","","Venables, J.D.; Kahn, D.; Lye, R.G.","Structure of the ordered compound V6 C5","Philosophical Magazine, Serie 6 (1901-1925)","1968","18","","177","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","171952","2020-10-21","18:00:00",""
"1541079","9.574","","7.096","","13.637","","90","","100.95","","90","","909.591","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Er H (P O3)4","","- Er H O12 P4 -","- Er H O12 P4 -","- Er4 H4 O48 P16 -","4","1","","Palkina, K.K.; Chudinova, N.N.; Balagina, G.M.; Maksimova, S.I.; Chibiskova, N.T.","Synthesis of acid polyphosphates of rare-earth metals and the structure of Er H (P O3)4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1982","18","","1561","1566","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541599","8.39","","8.39","","8.39","","90","","90","","90","","590.59","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Li.5 Fe2.5 O4","","- Fe2.5 Li0.5 O4 -","- Fe2.5 Li0.5 O4 -","- Fe20 Li4 O32 -","8","0.0416667","","de Boer, F.; van Santen, J.H.; Verwey, E.J.W.","The Electrostatic Contribution to the Lattice Energy of Some Ordered Spinels","Journal of Chemical Physics","1950","18","","1032","1034","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541912","7.852","0.003","8.191","0.003","15.597","0.007","92.81","0.03","103.81","0.03","116.1","0.02","861","0.6","170","2","170","2","","","","","","","","4","P -1","-P 1","2","JSP-20151214","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Jeong, Taejoo; Han, Sang Hoon; Han, Sangil; Sharma, Satyasheel; Park, Jihye; Lee, Jong Suk; Kwak, Jong Hwan; Jung, Young Hoon; Kim, In Su","Access to 3-Acyl-(2H)-indazoles via Rh(III)-Catalyzed C-H Addition and Cyclization of Azobenzenes with α-Keto Aldehydes.","Organic letters","2016","18","2","232","235","10.1021/acs.orglett.5b03368","","","0.71073","","","0.1269","0.0761","","","0.1972","0.2268","","","","","","0.983","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541913","16.204","0.003","10.0147","0.0017","11.186","0.002","90","","90","","90","","1815.2","0.6","193","2","193","2","","","","","","","Schomaker Lab No. NCG2072","6","P c a 21","P 2c -2ac","29","","1-((4S,5R)-5-((tert-butyldimethylsilyl)oxy)-4-ethynyl-2,2-dioxido- 1,2,3-oxathiazepan-4-yl)ethanone","","- C14 H25 N O5 S Si -","- C14 H25 N O5 S Si -","- C56 H100 N4 O20 S4 Si4 -","4","1","","Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M.","Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy.","Organic letters","2016","18","2","284","287","10.1021/acs.orglett.5b03453","","x-ray","1.54184","CuKα","K-L~3~","0.0333","0.033","","","0.0919","0.0921","","","","","","1.125","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541914","7.4335","0.0015","12.118","0.002","14.438","0.003","90","","90","","90","","1300.6","0.4","100","2","100","2","","","","","","","Schomaker Lab No. CSA8084","5","P 21 21 21","P 2ac 2ab","19","","'4-ethyl-5-hydroxy-4-(-2-hydroxy-3-methylbut-3 -en-2-yl)-1,2,3-oxathiazepane 2,2-dioxide'","","- C11 H21 N O5 S -","- C11 H21 N O5 S -","- C44 H84 N4 O20 S4 -","4","1","","Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M.","Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy.","Organic letters","2016","18","2","284","287","10.1021/acs.orglett.5b03453","","x-ray","1.54178","CuKα","K-L~3~","0.0283","0.0277","","","0.0729","0.0733","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541918","10.2155","0.0013","18.822","0.002","10.6623","0.0015","90","","110.299","0.003","90","","1922.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C100 H104 O8 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0583","0.0417","","","0.0934","0.1024","","","","","","1.013","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541919","23.259","0.003","5.6619","0.0004","17.6922","0.0016","90","","112.341","0.004","90","","2155","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O4 S -","- C26 H28 O4 S -","- C104 H112 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0841","0.0654","","","0.1875","0.2079","","","","","","1.255","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541920","15.2927","0.0005","18.9203","0.0005","22.9664","0.0007","90","","90.775","0.001","90","","6644.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 F O3 S -","- C25 H31 F O3 S -","- C300 H372 F12 O36 S12 -","12","3","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0514","0.038","","","0.1018","0.1217","","","","","","1.107","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541921","11.85","0.0015","10.4794","0.0013","13.4988","0.0017","90","","91.813","0.003","90","","1675.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0484","0.0352","","","0.0807","0.0877","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541922","12.1307","0.0004","11.0079","0.0003","20.033","0.0005","90","","104.538","0.001","90","","2589.42","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 O4 S -","- C32 H32 O4 S -","- C128 H128 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0487","0.0433","","","0.1107","0.114","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541923","9.4078","0.0008","9.4698","0.0008","26.64","0.002","90","","90","","90","","2373.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O4 S -","- C28 H32 O4 S -","- C112 H128 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0368","0.0321","","","0.0781","0.0806","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541924","10.8495","0.0005","9.9471","0.0005","19.6318","0.001","90","","94.688","0.001","90","","2111.6","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 S -","- C25 H24 O4 S -","- C100 H96 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0989","0.0596","","","0.1521","0.176","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541925","16.05","0.0008","11.2326","0.0005","24.8893","0.0013","90","","90","","90","","4487.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H32 O3 S -","- C25 H32 O3 S -","- C200 H256 O24 S8 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0687","0.0423","","","0.0999","0.1145","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541926","6.019","0.0002","22.9167","0.001","13.0996","0.0006","90","","101.525","0.001","90","","1770.47","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O3 S -","- C20 H24 O3 S -","- C80 H96 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0407","0.0353","","","0.1075","0.119","","","","","","1.184","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541927","5.6186","0.0006","8.359","0.0008","37.132","0.003","90","","90","","90","","1743.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 O3 S -","- C19 H19 F3 O3 S -","- C76 H76 F12 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0461","0.0388","","","0.0853","0.0961","","","","","","1.085","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1541928","10.3966","0.0008","11.0245","0.001","26.053","0.002","90","","91.85","0.004","90","","2984.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 O5 S -","- C34 H44 O5 S -","- C136 H176 O20 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0665","0.0437","","","0.1117","0.1384","","","","","","1.112","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541929","10.3721","0.0007","18.7809","0.0011","10.7938","0.0006","90","","110.397","0.002","90","","1970.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F O2 -","- C25 H25 F O2 -","- C100 H100 F4 O8 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0556","0.042","","","0.1217","0.1387","","","","","","1.115","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541939","20.67","","3.833","","3.927","","90","","90","","90","","311.129","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Nb3 O7 F","","- F Nb3 O7 -","- F Nb3 O7 -","- F2 Nb6 O14 -","2","0.125","","Andersson, S.","The Crystal Structure of Nb3 O7 F","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","2339","2344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541947","11.311","","9.728","","7.314","","90","","90","","90","","804.784","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bi (Cr O4 (O H))","","- Bi Cr H O5 -","- Bi Cr O5 -","- Bi8 Cr8 O40 -","8","1","","Aurivillius, B.; Loewenhielm, A.","The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1937","1957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542103","5.625","","9.592","","7.476","","90","","93.12","","90","","402.77","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bi (Cr O4 (O H))","","- Bi Cr H O5 -","- Bi Cr O5 -","- Bi4 Cr4 O20 -","4","1","","Aurivillius, B.; Loewenhielm, A.","The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1937","1957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542267","6.9902","0.0015","10.327","0.002","18.799","0.004","90","","90","","90","","1357.1","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Lai, Bo-Nan; Qiu, Jian-Feng; Zhang, Heng-Xia; Nie, Jing; Ma, Jun-An","Stereoselective Synthesis of Fused Aziridines via One-Pot Sequential Decarboxylative Mannich Reaction and Oxidative C-H Amination of Cyclic Imines with β-Ketoacids.","Organic letters","2016","18","3","520","523","10.1021/acs.orglett.5b03551","","","0.71073","MoKα","","0.0386","0.0342","","","0.0878","0.0914","","","","","","1.088","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542268","8.3056","0.0001","28.5217","0.0005","12.1649","0.0002","90","","90.909","0.001","90","","2881.38","0.08","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C116 H160 O40 -","4","2","","Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min","Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.","Organic letters","2016","18","3","444","447","10.1021/acs.orglett.5b03487","","","1.54178","CuKα","","0.037","0.036","","","0.0963","0.0975","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542269","8.7852","0.0001","14.5469","0.0002","11.599","0.0001","90","","110.9","","90","","1384.79","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H40 O11 -","- C29 H40 O11 -","- C58 H80 O22 -","2","1","","Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min","Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.","Organic letters","2016","18","3","444","447","10.1021/acs.orglett.5b03487","","","1.54178","CuKα","","0.0262","0.0261","","","0.0731","0.0732","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542286","9.9794","0.001","14.104","0.0015","19.268","0.002","90","","90","","90","","2712","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 N4 O7 -","- C27 H40 N4 O7 -","- C108 H160 N16 O28 -","4","1","","Almeida, Celso; Maddah, Fayrouz El; Kehraus, Stefan; Schnakenburg, Gregor; König, Gabriele M","Endolides A and B, Vasopressin and Serotonin-Receptor Interacting N-Methylated Peptides from the Sponge-Derived Fungus Stachylidium sp.","Organic letters","2016","18","3","528","531","10.1021/acs.orglett.5b03553","","","0.71073","MoKα","","0.1047","0.0768","","","0.2138","0.2404","","","","","","1.019","","","","has coordinates,has disorder","177448","2020-10-21","18:00:00",""
"1542292","9.0877","0.0003","15.0437","0.0004","9.2994","0.0003","90","","111.757","0.004","90","","1180.78","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C56 H56 N4 O8 -","2","1","","Garve, Lennart K. B.; Petzold, Martin; Jones, Peter G.; Werz, Daniel B.","[3 + 3]-Cycloaddition of Donor-Acceptor Cyclopropanes with Nitrile Imines Generated in Situ: Access to Tetrahydropyridazines.","Organic letters","2016","18","3","564","567","10.1021/acs.orglett.5b03598","","","0.71073","MoKα","","0.0394","0.037","","","0.0915","0.0933","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542293","8.721","0.0004","11.0214","0.0005","11.5267","0.0005","101.563","0.0009","96.6362","0.0009","110.424","0.0008","996.22","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O2 -","- C24 H30 N2 O2 -","- C48 H60 N4 O4 -","2","1","","Zhu, Zhengbo; Seidel, Daniel","An Ugi Reaction Incorporating a Redox-Neutral Amine C-H Functionalization Step.","Organic letters","2016","18","4","631","633","10.1021/acs.orglett.5b03529","","","0.71073","MoKα","","0.0487","0.0428","","","0.112","0.1172","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542304","6.955","0.0003","10.6206","0.0004","23.9572","0.001","90","","90","","90","","1769.63","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","","Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng","Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.","Organic letters","2016","18","4","654","657","10.1021/acs.orglett.5b03583","","","1.54178","CuKα","","0.0806","0.0779","","","0.2095","0.2165","","","","","","1.184","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542305","8.0376","0.0008","12.1437","0.0013","32.747","0.003","90","","90","","90","","3196.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C152 H192 N16 O8 -","8","2","","Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng","Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.","Organic letters","2016","18","4","654","657","10.1021/acs.orglett.5b03583","","","0.71073","MoKα","","0.0601","0.0443","","","0.1078","0.1195","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542306","6.22509","0.00005","17.41592","0.00017","26.9154","0.0002","90","","90","","90","","2918.05","0.04","277.74","0.1","277.74","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 O9 Se -","- C31 H30 O9 Se -","- C124 H120 O36 Se4 -","4","1","","McDonagh, Anthony W.; Mahon, Mary F.; Murphy, Paul V.","Lewis Acid Induced Anomerization of Se-Glycosides. Application to Synthesis of α-Se-GalCer.","Organic letters","2016","18","3","552","555","10.1021/acs.orglett.5b03591","","x-ray","1.54184","CuKα","","0.0284","0.0267","","","0.0641","0.065","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542317","6.3258","0.0013","8.2673","0.0017","16.726","0.003","78.52","0.03","85.68","0.03","79.53","0.03","842.3","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl N O S -","- C18 H18 Cl N O S -","- C36 H36 Cl2 N2 O2 S2 -","2","1","","Wan, Jie-Ping; Zhong, Shanshan; Xie, Lili; Cao, Xiaoji; Liu, Yunyun; Wei, Li","KIO3-Catalyzed Aerobic Cross-Coupling Reactions of Enaminones and Thiophenols: Synthesis of Polyfunctionalized Alkenes by Metal-Free C-H Sulfenylation.","Organic letters","2016","18","3","584","587","10.1021/acs.orglett.5b03608","","","0.71073","MoKα","","0.0745","0.047","","","0.1233","0.1642","","","","","","1.161","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542341","12.3203","0.0009","6.9979","0.0005","19.3532","0.0013","90","","102.017","0.003","90","","1632","0.2","102","2","101.7","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F4 N2 -","- C19 H16 F4 N2 -","- C76 H64 F16 N8 -","4","1","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.0805","0.0682","","","0.1533","0.1626","","","","","","1.154","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542342","7.1579","0.0006","12.4992","0.0009","24.3054","0.0017","90","","90","","90","","2174.6","0.3","103","2","103.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 F4 N2 O -","- C10 H12 F4 N2 O -","- C80 H96 F32 N16 O8 -","8","1","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.0817","0.073","","","0.1768","0.1875","","","","","","1.099","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542343","10.869","0.0018","18.902","0.003","12.575","0.002","90","","108.712","0.003","90","","2446.9","0.7","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F4 N2 -","- C14 H10 F4 N2 -","- C112 H80 F32 N16 -","8","2","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.138","0.053","","","0.1239","0.1609","","","","","","0.713","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542344","20.0066","0.0009","20.0066","0.0009","5.3686","0.0003","90","","90","","90","","2148.86","0.18","106","2","106","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C10 H8 F4 N2 O2 -","- C10 H8 F4 N2 O2 -","- C80 H64 F32 N16 O16 -","8","","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.065","0.0441","","","0.1144","0.1263","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542347","10.2818","0.0003","13.605","0.0004","14.1948","0.0004","75.66","0.002","74.772","0.002","86.297","0.002","1856.21","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 B F3 N -","- C22 H23 B F3 N -","- C88 H92 B4 F12 N4 -","4","2","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.1022","0.0554","","","0.12","0.1419","","","","","","1.044","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542348","17.9223","0.0007","15.0483","0.0005","14.7492","0.0006","90","","103.949","0.003","90","","3860.6","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 B Fe N -","- C25 H28 B Fe N -","- C200 H224 B8 Fe8 N8 -","8","2","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.1103","0.0531","","","0.1165","0.1432","","","","","","0.991","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1542349","8.7114","0.0003","9.6629","0.0004","10.9661","0.0005","107.461","0.002","90.795","0.002","100.807","0.002","862.52","0.06","180","2","175","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 B N -","- C22 H26 B N -","- C44 H52 B2 N2 -","2","1","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.0525","0.0431","","","0.1157","0.1257","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542350","7.5492","0.0003","15.7188","0.0008","13.8319","0.0007","90","","95.749","0.004","90","","1633.1","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B N -","- C21 H24 B N -","- C84 H96 B4 N4 -","4","1","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.1079","0.0514","","","0.102","0.1235","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542351","6.6373","0.0003","9.5044","0.0004","27.3003","0.0011","90","","90","","90","","1722.2","0.13","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 B N Si -","- C18 H28 B N Si -","- C72 H112 B4 N4 Si4 -","4","1","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.0394","0.0351","","","0.0802","0.0826","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542361","14.4216","0.0006","5.8914","0.0003","20.5783","0.001","90","","100.344","0.004","90","","1719.99","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N S2 -","- C23 H15 N S2 -","- C92 H60 N4 S8 -","4","1","","Irgashev, Roman A.; Karmatsky, Arseny A.; Rusinov, Gennady L.; Charushin, Valery N.","Construction of Heteroacenes with Fused Thiophene and Pyrrole Rings via the Fischer Indolization Reaction.","Organic letters","2016","18","4","804","807","10.1021/acs.orglett.6b00081","","","0.7107","MoKα","","0.0612","0.0433","","","0.1053","0.1163","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542362","10.4822","0.0004","5.9694","0.0002","17.3911","0.0007","90","","106.202","0.002","90","","1044.98","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H18 Br N O4 -","- C25 H18 Br N O4 -","- C50 H36 Br2 N2 O8 -","2","1","","Möhlmann, Lennart; Chang, Geng-Hua; Madhusudhan Reddy, G.; Lee, Chia-Jui; Lin, Wenwei","Organocatalytic Enantioselective Synthesis of Tetrahydrofluoren-9-ones via Vinylogous Michael Addition/Henry Reaction Cascade of 1,3-Indandione-Derived Pronucleophiles.","Organic letters","2016","18","4","688","691","10.1021/acs.orglett.5b03663","","","0.71073","MoKα","","0.0369","0.0276","","","0.0529","0.0606","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542363","10.763","0.006","20.038","0.011","11.832","0.007","90","","117.008","0.015","90","","2274","2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Br N O4 -","- C26 H20 Br N O4 -","- C104 H80 Br4 N4 O16 -","4","2","","Möhlmann, Lennart; Chang, Geng-Hua; Madhusudhan Reddy, G.; Lee, Chia-Jui; Lin, Wenwei","Organocatalytic Enantioselective Synthesis of Tetrahydrofluoren-9-ones via Vinylogous Michael Addition/Henry Reaction Cascade of 1,3-Indandione-Derived Pronucleophiles.","Organic letters","2016","18","4","688","691","10.1021/acs.orglett.5b03663","","","0.71073","MoKα","","0.2085","0.101","","","0.1854","0.2293","","","","","","0.986","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542364","9.1909","0.001","11.4084","0.001","14.6334","0.0012","86.77","0.003","83.447","0.003","87.553","0.003","1520.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 N O8 S -","- C33 H33 N O8 S -","- C66 H66 N2 O16 S2 -","2","1","","Möhlmann, Lennart; Chang, Geng-Hua; Madhusudhan Reddy, G.; Lee, Chia-Jui; Lin, Wenwei","Organocatalytic Enantioselective Synthesis of Tetrahydrofluoren-9-ones via Vinylogous Michael Addition/Henry Reaction Cascade of 1,3-Indandione-Derived Pronucleophiles.","Organic letters","2016","18","4","688","691","10.1021/acs.orglett.5b03663","","","0.71073","MoKα","","0.1156","0.0715","","","0.1739","0.1991","","","","","","1.042","","","","has coordinates","177439","2020-10-21","18:00:00",""
"1542368","7.1803","0.0005","8.0598","0.0006","13.9214","0.001","98.659","0.006","92.733","0.006","108.798","0.007","750","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 N2 O4 -","- C19 H12 N2 O4 -","- C38 H24 N4 O8 -","2","1","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.068","0.0463","","","0.105","0.1178","","","","","","1.123","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542369","23.3899","0.0008","6.7857","0.0003","11.147","0.0005","90","","90","","90","","1769.22","0.13","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","0.5","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.0759","0.0612","","","0.1806","0.1989","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542370","4.5729","0.0005","14.7748","0.0014","19.072","0.002","90","","90","","90","","1288.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 N O2 -","- C19 H11 N O2 -","- C76 H44 N4 O8 -","4","1","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.0913","0.0602","","","0.1096","0.1249","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542371","24.07","0.002","7.6955","0.0005","22.2172","0.0019","90","","117.372","0.011","90","","3654.6","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H16 Cl N O2 -","- C25.5 H16 Cl N O2 -","- C204 H128 Cl8 N8 O16 -","8","1","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.0814","0.0515","","","0.1066","0.1233","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542372","10.3444","0.0008","7.3472","0.0005","25.724","0.002","90","","97.771","0.003","90","","1937.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming","Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction.","Organic letters","2016","18","2","316","319","10.1021/acs.orglett.5b03481","","","0.71073","MoKα","","0.101","0.0844","","","0.2737","0.2907","","","","","","1.217","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542373","10.8282","0.0006","8.7931","0.0004","19.9988","0.001","90","","90","","90","","1904.15","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming","Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction.","Organic letters","2016","18","2","316","319","10.1021/acs.orglett.5b03481","","","0.71073","MoKα","","0.0413","0.0346","","","0.0747","0.0777","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542374","13.9894","0.0018","9.1257","0.0012","15.099","0.002","90","","108.295","0.003","90","","1830.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 Br N3 -","- C23 H14 Br N3 -","- C92 H56 Br4 N12 -","4","1","","Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming","Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction.","Organic letters","2016","18","2","316","319","10.1021/acs.orglett.5b03481","","","0.71073","MoKα","","0.0972","0.045","","","0.0948","0.1119","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542375","19.131","0.003","6.3759","0.0009","9.3218","0.0013","90","","90.05","0.005","90","","1137","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O S -","- C11 H19 N O S -","- C44 H76 N4 O4 S4 -","4","1","","Wei, Jianpeng; Li, Yiming; Jiang, Xuefeng","Aqueous Compatible Protocol to Both Alkyl and Aryl Thioamide Synthesis.","Organic letters","2016","18","2","340","343","10.1021/acs.orglett.5b03541","","","0.71073","MoKα","","0.0994","0.0505","","","0.1287","0.1673","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542376","12.7114","0.001","7.4836","0.0006","10.6854","0.0008","90","","90","","90","","1016.47","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H8 Br N S -","- C9 H8 Br N S -","- C36 H32 Br4 N4 S4 -","4","0.5","","Wei, Jianpeng; Li, Yiming; Jiang, Xuefeng","Aqueous Compatible Protocol to Both Alkyl and Aryl Thioamide Synthesis.","Organic letters","2016","18","2","340","343","10.1021/acs.orglett.5b03541","","","0.71073","MoKα","","0.0338","0.0265","","","0.0694","0.0732","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542377","12.6023","0.0003","13.271","0.0004","15.6239","0.0005","90","","90","","90","","2613.02","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N5 O5 -","- C28 H31 N5 O5 -","- C112 H124 N20 O20 -","4","1","","Yu, Guihong; Zhou, Guoliang; Zhu, Meilin; Wang, Wei; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Neosartoryadins A and B, Fumiquinazoline Alkaloids from a Mangrove-Derived Fungus Neosartorya udagawae HDN13-313.","Organic letters","2016","18","2","244","247","10.1021/acs.orglett.5b02964","","","1.54184","CuKα","","0.0385","0.0356","","","0.0939","0.0971","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542378","15.0536","0.0005","11.1765","0.0004","11.8469","0.0004","90","","107.065","0.001","90","","1905.44","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N2 O3 S -","- C19 H18 Cl2 N2 O3 S -","- C76 H72 Cl8 N8 O12 S4 -","4","1","","He, Qun; Wu, Liang; Kou, Xuezhen; Butt, Nicholas; Yang, Guoqiang; Zhang, Wanbin","Pd(II)-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatin-Derived Ketimines.","Organic letters","2016","18","2","288","291","10.1021/acs.orglett.5b03458","","","1.54178","CuKα","","0.0335","0.0312","","","0.1133","0.1182","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542379","9.4307","0.0005","15.3888","0.0008","35.4348","0.0018","90","","90","","90","","5142.6","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H25 Cl3 N2 O3 S -","- C25.5 H25 Cl3 N2 O3 S -","- C204 H200 Cl24 N16 O24 S8 -","8","2","","He, Qun; Wu, Liang; Kou, Xuezhen; Butt, Nicholas; Yang, Guoqiang; Zhang, Wanbin","Pd(II)-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatin-Derived Ketimines.","Organic letters","2016","18","2","288","291","10.1021/acs.orglett.5b03458","","","1.54178","CuKα","","0.0315","0.0314","","","0.0954","0.0956","","","","","","0.902","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542380","18.5685","0.0005","6.67667","0.00014","13.82","0.0004","90","","108.928","0.003","90","","1620.7","0.08","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 O8 -","- C16 H20 O8 -","- C64 H80 O32 -","4","0.5","","Tortoreto, Cecilia; Achard, Thierry; Egger, Léo; Guénée, Laure; Lacour, Jérôme","Synthesis of Spiro Ketals, Orthoesters, and Orthocarbonates by CpRu-Catalyzed Decomposition of α-Diazo-β-ketoesters.","Organic letters","2016","18","2","240","243","10.1021/acs.orglett.5b03380","","","1.54184","CuKα","","0.0458","0.0427","","","0.1554","0.1629","","","","","","1.67","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542381","9.60173","0.00018","12.9474","0.0002","13.2032","0.0003","90","","97.478","0.002","90","","1627.43","0.05","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O8 -","- C16 H20 O8 -","- C64 H80 O32 -","4","1","","Tortoreto, Cecilia; Achard, Thierry; Egger, Léo; Guénée, Laure; Lacour, Jérôme","Synthesis of Spiro Ketals, Orthoesters, and Orthocarbonates by CpRu-Catalyzed Decomposition of α-Diazo-β-ketoesters.","Organic letters","2016","18","2","240","243","10.1021/acs.orglett.5b03380","","x-ray","1.54184","CuKα","","0.0402","0.0354","","","0.0977","0.1023","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542382","6.8204","0.0008","13.7059","0.0015","14.4554","0.0016","72.804","0.001","87.405","0.001","88.793","0.001","1289.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O3 Se -","- C31 H27 N O3 Se -","- C62 H54 N2 O6 Se2 -","2","1","","Tang, E.; Wang, Weilin; Zhao, Yinjiao; Zhang, Meng; Dai, Xin","Catalytic and Atom-Economic Intermolecular Amidoselenenylation of Alkenes.","Organic letters","2016","18","2","176","179","10.1021/acs.orglett.5b03157","","","0.71073","MoKα","","0.0645","0.0398","","","0.0776","0.0868","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542383","10.3434","0.0004","17.047","0.0008","30.5673","0.0013","90","","90","","90","","5389.7","0.4","100.9","","100.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H71 Cl3 O8 -","- C62 H71 Cl3 O8 -","- C248 H284 Cl12 O32 -","4","1","","Li, Chuang-Jun; Ma, Jie; Sun, Hua; Zhang, Dan; Zhang, Dong-Ming","Guajavadimer A, a Dimeric Caryophyllene-Derived Meroterpenoid with a New Carbon Skeleton from the Leaves of Psidium guajava.","Organic letters","2016","18","2","168","171","10.1021/acs.orglett.5b03117","","","1.54184","CuKα","","0.0512","0.048","","","0.1283","0.1314","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542384","9.7832","0.0007","24.3518","0.0014","27.7523","0.0019","90","","90","","90","","6611.7","0.8","173","2","173","2","","","","","","","","3","P 1 1 21","P 2c","4","","","","- C35 H46 O6 -","- C35 H46 O6 -","- C280 H368 O48 -","8","4","","Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.","Organic letters","2016","18","1","120","123","10.1021/acs.orglett.5b03360","","","1.54184","CuKα","","0.0835","0.0671","","","0.1606","0.1761","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542385","6.4131","0.0002","14.8983","0.0007","32.7256","0.0014","90","","90","","90","","3126.7","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.","Organic letters","2016","18","1","120","123","10.1021/acs.orglett.5b03360","","","1.54184","CuKα","","0.0628","0.0585","","","0.15","0.1624","","","","","","1.124","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542386","8.8562","0.0002","9.9924","0.0003","11.4351","0.0003","90","","105.077","0.003","90","","977.11","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","","Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.","Organic letters","2016","18","1","120","123","10.1021/acs.orglett.5b03360","","","1.54184","CuKα","","0.0367","0.0355","","","0.0973","0.0991","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542387","14.614","0.003","12.706","0.003","13.842","0.003","90","","90","","90","","2570.3","1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H16 N4 O5 -","- C10 H13 N4 O5 -","- C80 H104 N32 O40 -","8","1","","Zheng, Jing; Qi, Jifeng; Cui, Sunliang","Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis.","Organic letters","2016","18","1","128","131","10.1021/acs.orglett.5b03317","","","0.71073","MoKα","","0.0953","0.078","","","0.2131","0.2419","","","","","","1.05","","","","has coordinates,has disorder","175747","2020-10-21","18:00:00",""
"1542388","22.2134","0.0018","5.773","0.0005","19.6734","0.0016","90","","115.56","0.0014","90","","2276","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 -","- C12 H11 N2 O2 -","- C96 H88 N16 O16 -","8","2","","Zheng, Jing; Qi, Jifeng; Cui, Sunliang","Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis.","Organic letters","2016","18","1","128","131","10.1021/acs.orglett.5b03317","","","0.71073","MoKα","","0.0993","0.082","","","0.2294","0.2466","","","","","","1.072","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1542389","9.829","0.002","17.878","0.004","11.147","0.002","90","","102.8","0.004","90","","1910.1","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N -","- C27 H21 N -","- C108 H84 N4 -","4","1","","Xiang, Jia-Chen; Wang, Miao; Cheng, Yan; Wu, An-Xin","Molecular Iodine-Mediated Chemoselective Synthesis of Multisubstituted Pyridines through Catabolism and Reconstruction Behavior of Natural Amino Acids.","Organic letters","2016","18","1","24","27","10.1021/acs.orglett.5b03037","","","0.71073","MoKα","","0.113","0.0498","","","0.1253","0.1671","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542390","9.4429","0.0012","7.8615","0.001","37.294","0.005","90","","97.23","0.002","90","","2746.5","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O13 -","- C29 H32 O13 -","- C116 H128 O52 -","4","2","","Shi, Yi-Ming; Cai, Song-Liang; Li, Xiao-Nian; Liu, Miao; Shang, Shan-Zhai; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","LC-UV-Guided Isolation and Structure Determination of Lancolide E: A Nortriterpenoid with a Tetracyclo[5.4.0.0(2,4).0(3,7)]undecane-Bridged System from a ""Talented"" Schisandra Plant.","Organic letters","2016","18","1","100","103","10.1021/acs.orglett.5b03334","","","0.71073","MoKα","","0.1427","0.1414","","","0.346","0.3474","","","","","","1.075","","","","has coordinates","175750","2020-10-21","18:00:00",""
"1542391","21.3292","0.0008","8.2239","0.0003","18.2075","0.0007","90","","91.151","0.002","90","","3193.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C144 H136 N8 O40 -","8","2","","Dateer, Ramesh B.; Chang, Sukbok","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to N-Hydroxyindolines.","Organic letters","2016","18","1","68","71","10.1021/acs.orglett.5b03273","","","0.71073","MoKα","","0.0619","0.0487","","","0.1253","0.1421","","","","","","1.083","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542392","8.6285","0.0008","12.7114","0.0012","16.784","0.0017","90","","101.358","0.004","90","","1804.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O5 S -","- C20 H17 N O5 S -","- C80 H68 N4 O20 S4 -","4","1","","Dateer, Ramesh B.; Chang, Sukbok","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to N-Hydroxyindolines.","Organic letters","2016","18","1","68","71","10.1021/acs.orglett.5b03273","","","0.71073","MoKα","","0.0512","0.0364","","","0.0867","0.0943","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542393","5.575","0.0004","7.9619","0.0005","23.2886","0.0015","90","","90.492","0.003","90","","1033.69","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br O7 P -","- C20 H22 Br O7 P -","- C40 H44 Br2 O14 P2 -","2","1","","Horwitz, Matthew A.; Zavesky, Blane P.; Martinez-Alvarado, Jesus I; Johnson, Jeffrey S.","Asymmetric Organocatalytic Reductive Coupling Reactions between Benzylidene Pyruvates and Aldehydes.","Organic letters","2016","18","1","36","39","10.1021/acs.orglett.5b03127","","","1.54178","CuKα","","0.0426","0.0405","","","0.0942","0.0951","","","","","","1.13","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542394","6.2177","0.0003","16.6885","0.0007","41.8862","0.0015","90","","90","","90","","4346.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CI-759.F1","","","- C22 H27 N3 O S -","- C22 H27 N3 O S -","- C176 H216 N24 O8 S8 -","8","2","","Izquierdo, Cristina; Esteban, Francisco; Ruano, José Luis García; Fraile, Alberto; Alemán, José","Asymmetric Synthesis of 1,2-Diamines bearing Tetrasubstituted Centers from Nonstabilized Azomethine Ylides and N-Sulfinylketimines under Brønsted Acid Catalysis.","Organic letters","2016","18","1","92","95","10.1021/acs.orglett.5b03251","","","0.71073","","","0.073","0.0453","","","0.1148","0.1379","","","","","","1.068","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542395","6.1444","0.0001","12.3333","0.0002","26.7768","0.0004","90","","90","","90","","2029.17","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","FE0818","","","- C21 H25 N3 O S -","- C21 H25 N3 O S -","- C84 H100 N12 O4 S4 -","4","1","","Izquierdo, Cristina; Esteban, Francisco; Ruano, José Luis García; Fraile, Alberto; Alemán, José","Asymmetric Synthesis of 1,2-Diamines bearing Tetrasubstituted Centers from Nonstabilized Azomethine Ylides and N-Sulfinylketimines under Brønsted Acid Catalysis.","Organic letters","2016","18","1","92","95","10.1021/acs.orglett.5b03251","","","0.71073","","","0.0405","0.0315","","","0.0931","0.1147","","","","","","1.119","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542396","8.233","0.003","5.5792","0.0018","34.637","0.011","90","","90","","90","","1591","0.9","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Laha, Radha M.; Khamarui, Saikat; Manna, Saikat K.; Maiti, Dilip K.","In Situ Generated Ag(II)-Catalyzed Selective Oxo-Esterification of Alkyne with Alcohol to α-Ketoester: Photophysical Study.","Organic letters","2016","18","1","144","147","10.1021/acs.orglett.5b03484","","","0.71073","MoKα","","0.0532","0.0511","","","0.1424","0.1439","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542403","5.9591","0.0012","9.2931","0.0019","55.53","0.011","90","","90","","90","","3075.2","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Cl N5 O6 S2 -","- C31 H28 Cl N5 O6 S2 -","- C124 H112 Cl4 N20 O24 S8 -","4","1","","Zhang, Dan-Jie; Xie, Ming-Sheng; Qu, Gui-Rong; Gao, Yao-Wei; Guo, Hai-Ming","Synthesis of Azacyclic Nucleoside Analogues via Asymmetric [3 + 2] Cycloaddition of 9-(2-Tosylvinyl)-9H-purines.","Organic letters","2016","18","4","820","823","10.1021/acs.orglett.6b00108","","","0.71073","MoKα","","0.0619","0.0446","","","0.0882","0.0954","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542409","16.4147","0.0015","4.7888","0.0006","14.7033","0.0014","90","","109.132","0.01","90","","1091.9","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F3 N2 O -","- C13 H7 F3 N2 O -","- C52 H28 F12 N8 O4 -","4","1","","Liu, Meilin; Shu, Miaomiao; Yao, Chaochao; Yin, Guodong; Wang, Dunjia; Huang, Jinkun","Synthesis of Pyrido-Fused Quinazolinone Derivatives via Copper-Catalyzed Domino Reaction.","Organic letters","2016","18","4","824","827","10.1021/acs.orglett.6b00113","","","0.71073","MoKα","","0.0591","0.0415","","","0.1302","0.1458","","","","","","0.959","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542410","8.0698","0.0009","6.5112","0.0007","35.008","0.004","90","","92.98","0.002","90","","1837","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4-(4-nitrobenzoyloxy)biphenyl-2-carboxylate","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C84 H60 N4 O24 -","4","2","","Joshi, Prabhakar Ramchandra; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.","Oxygenative and Dehydrogenative [3 + 3] Benzannulation Reactions of α,β-Unsaturated Aldehydes and γ-Phosphonyl Crotonates Mediated by Air: Regioselective Synthesis of 4-Hydroxybiaryl-2-carboxylates.","Organic letters","2016","18","4","752","755","10.1021/acs.orglett.6b00016","","","0.71073","MoKα","","0.0747","0.0678","","","0.1396","0.1427","","","","","","1.237","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542412","10.6146","0.0008","13.7299","0.0011","16.5455","0.0014","90","","90","","90","","2411.3","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N2 -","- C32 H25 N2 -","- C128 H100 N8 -","4","1","","Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Zhang, Heng-Rui; Li, Lian-Hua; Jin, Dong-Po; Sun, Xiao-Qing; Liu, Xue-Yuan; Liang, Yong-Min","Lewis Acid Catalyzed [4 + 3] Cycloaddition of Propargylic Alcohols with Azides.","Organic letters","2016","18","5","940","","10.1021/acs.orglett.5b03657","","","0.71073","MoKα","","0.065","0.0445","","","0.106","0.1188","","","","","","1.002","","","","has coordinates","177449","2020-10-21","18:00:00",""
"1542413","30.17","0.02","6.495","0.004","13.388","0.008","90","","92.76","0.012","90","","2620","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 O2 Si2 -","- C26 H44 O2 Si2 -","- C104 H176 O8 Si8 -","4","0.5","","Lim, Hee Nam; Dong, Guangbin","Catalytic Cage Formation via Controlled Dimerization of Norbornadienes: An Entry to Functionalized HCTDs (Heptacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9).0(10,14)]tetradecanes).","Organic letters","2016","18","5","1104","","10.1021/acs.orglett.6b00207","","","0.71075","MoKα","","0.0538","0.0419","","","0.1156","0.1299","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542414","15.6222","0.0005","8.3147","0.0002","19.4923","0.0006","90","","111.898","0.004","90","","2349.25","0.14","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 -","- C32 H36 -","- C128 H144 -","4","1","","Lim, Hee Nam; Dong, Guangbin","Catalytic Cage Formation via Controlled Dimerization of Norbornadienes: An Entry to Functionalized HCTDs (Heptacyclo[6.6.0.0(2,6).0(3,13).0(4,11).0(5,9).0(10,14)]tetradecanes).","Organic letters","2016","18","5","1104","","10.1021/acs.orglett.6b00207","","","1.54184","CuKα","","0.0638","0.0533","","","0.1299","0.1357","","","","","","1.074","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542418","7.0784","0.0006","8.053","0.0006","38.854","0.003","90","","91.395","0.006","90","","2214.1","0.3","90","0.5","90","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 N O2 Si -","- C24 H33 N O2 Si -","- C96 H132 N4 O8 Si4 -","4","1","","Ayala, Caitlan E.; Dange, Nitin S.; Stepherson, Jacob R.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Functionalization of Silyldienol Ethers at the γ-Position via 2-Silyloxypentadienyl Cations.","Organic letters","2016","18","5","1084","","10.1021/acs.orglett.6b00196","","","1.54184","CuKα","","0.1468","0.0874","","","0.2411","0.2676","","","","","","1.09","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542419","17.0398","0.0008","9.1263","0.0004","15.8008","0.0009","90","","112.88","0.002","90","","2263.9","0.2","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O2 Si -","- C24 H35 N O2 Si -","- C96 H140 N4 O8 Si4 -","4","1","","Ayala, Caitlan E.; Dange, Nitin S.; Stepherson, Jacob R.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Functionalization of Silyldienol Ethers at the γ-Position via 2-Silyloxypentadienyl Cations.","Organic letters","2016","18","5","1084","","10.1021/acs.orglett.6b00196","","","0.71073","MoKα","","0.1314","0.0861","","","0.2374","0.2894","","","","","","1.14","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542420","9.465","0.005","9.827","0.005","14.255","0.005","98.362","0.005","100.338","0.005","113.651","0.005","1159.5","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","3-(4-(diphenylmethylene)cyclopent-2-en-1-yl)-2-phenyl-1H-indole","","","- C32 H25 N -","- C32 H25 N -","- C64 H50 N2 -","2","1","","Chand, S. Sarath; Gopalan, Greeshma; Santhini, P. V.; Preethanuj, P.; John, Jubi; Harakat, Dominique; Jaroschik, Florian; Radhakrishnan, K. V.","Lewis Acid Catalyzed Regioselective Hydroheteroarylation of Pentafulvenes.","Organic letters","2016","18","5","964","","10.1021/acs.orglett.6b00047","","","0.71073","MoKα","","0.0537","0.0397","","","0.1173","0.1399","","","","","","1.153","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542421","15.1361","0.0003","14.6365","0.0003","22.0466","0.0004","90","","98.281","0.002","90","","4833.27","0.17","100","0.4","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 N12 -","- C64 H42 N12 -","- C256 H168 N48 -","4","1","","Zissimou, Georgia A.; Constantinides, Christos P.; Manoli, Maria; Pieridou, Galatia K.; Hayes, Sophia C.; Koutentis, Panayiotis A.","Oxidation of Tetraphenylhexaazaanthracene: Accessing a Scissor Dimer of a 16π Biscyanine.","Organic letters","2016","18","5","1116","","10.1021/acs.orglett.6b00222","","","1.54184","CuKα","","0.045","0.0396","","","0.1087","0.1129","","","","","","1.054","","","","has coordinates","177455","2020-10-21","18:00:00",""
"1542441","7.494","0.0008","15.0837","0.0017","17.3328","0.0019","90","","100.884","0.001","90","","1924","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O3 Se -","- C21 H26 O3 Se -","- C84 H104 O12 Se4 -","4","1","","Tang, E.; Zhao, Yinjiao; Li, Wen; Wang, Weilin; Zhang, Meng; Dai, Xin","Catalytic Selenium-Promoted Intermolecular Friedel-Crafts Alkylation with Simple Alkenes.","Organic letters","2016","18","5","912","","10.1021/acs.orglett.5b03579","","","0.71073","MoKα","","0.0519","0.0331","","","0.0788","0.0874","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542442","7.3183","0.0011","10.0305","0.0015","10.947","0.0017","69.766","0.002","77.72","0.002","85.037","0.002","736.66","0.19","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O -","- C18 H20 O -","- C36 H40 O2 -","2","1","","Tang, E.; Zhao, Yinjiao; Li, Wen; Wang, Weilin; Zhang, Meng; Dai, Xin","Catalytic Selenium-Promoted Intermolecular Friedel-Crafts Alkylation with Simple Alkenes.","Organic letters","2016","18","5","912","","10.1021/acs.orglett.5b03579","","","0.71073","MoKα","","0.0972","0.0551","","","0.1468","0.177","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542443","7.5256","0.0015","7.9629","0.0016","13.641","0.003","103.84","0.03","91.68","0.03","98.51","0.03","783.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C38 H22 F6 N4 O4 -","2","1","","Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei","Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols.","Organic letters","2016","18","5","1064","","10.1021/acs.orglett.6b00177","","","0.71073","MoKα","","0.0957","0.0667","","","0.2068","0.2539","","","","","","0.945","","","","has coordinates","177456","2020-10-21","18:00:00",""
"1542444","16.336","0.011","7.549","0.005","21.555","0.016","90","","90","","90","","2658","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C144 H96 N16 O16 -","8","1","","Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei","Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols.","Organic letters","2016","18","5","1064","","10.1021/acs.orglett.6b00177","","","0.71073","MoKα","","0.1454","0.059","","","0.1623","0.2243","","","","","","0.636","","","","has coordinates","177456","2020-10-21","18:00:00",""
"1542445","8.823","0.0016","9.7832","0.0015","28.016","0.005","90","","90","","90","","2418.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37.68 N O4.34 -","- C28 H37 N O4.34 -","- C112 H148 N4 O17.36 -","4","1","","Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin","Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2.","Organic letters","2016","18","5","1108","","10.1021/acs.orglett.6b00214","","","1.54178","CuKα","","0.2088","0.1134","","","0.3009","0.3545","","","","","","1.084","","","","has coordinates","177460","2020-10-21","18:00:00",""
"1542446","9.7486","0.0002","14.4556","0.0003","10.3782","0.0002","90","","102.099","0.001","90","","1430.03","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H43 N O7 -","- C31 H43 N O7 -","- C62 H86 N2 O14 -","2","1","","Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin","Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2.","Organic letters","2016","18","5","1108","","10.1021/acs.orglett.6b00214","","","1.54178","CuKα","","0.0888","0.0555","","","0.1459","0.1718","","","","","","1.176","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542498","7.1879","0.0012","34.402","0.006","17.855","0.003","90","","91.042","0.003","90","","4414.4","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N O Si -","- C24 H33 N O Si -","- C192 H264 N8 O8 Si8 -","8","2","","Shaikh, Aslam C.; Shinde, Dinesh R.; Patil, Nitin T.","Gold vs Rhodium Catalysis: Tuning Reactivity through Catalyst Control in the C-H Alkynylation of Isoquinolones.","Organic letters","2016","18","5","1056","","10.1021/acs.orglett.6b00175","","","0.71073","MoKα","","0.0977","0.0746","","","0.2182","0.2429","","","","","","1.058","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542499","8.162","0.005","11.461","0.009","12.471","0.01","82.763","0.01","71.881","0.014","79.447","0.019","1087","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Br N O Si -","- C21 H27 Br N O Si -","- C42 H54 Br2 N2 O2 Si2 -","2","1","","Shaikh, Aslam C.; Shinde, Dinesh R.; Patil, Nitin T.","Gold vs Rhodium Catalysis: Tuning Reactivity through Catalyst Control in the C-H Alkynylation of Isoquinolones.","Organic letters","2016","18","5","1056","","10.1021/acs.orglett.6b00175","","","0.71073","MoKα","","0.0756","0.0516","","","0.1343","0.1529","","","","","","1.005","","","","has coordinates","177454","2020-10-21","18:00:00",""
"1542500","16.1198","0.0013","12.3819","0.001","15.1359","0.0012","90","","116.573","0.002","90","","2701.9","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br N -","- C16 H14 Br N -","- C128 H112 Br8 N8 -","8","1","","Jhang, Yuan-Ye; Fan-Chiang, Tai-Ting; Huang, Jun-Min; Hsieh, Jen-Chieh","Copper-Catalyzed Annulation: A Method for the Systematic Synthesis of Phenanthridinium Bromide.","Organic letters","2016","18","5","1154","","10.1021/acs.orglett.6b00269","","","0.71073","MoKα","","0.0708","0.0392","","","0.0746","0.0828","","","","","","0.934","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542501","7.4548","0.0003","10.863","0.0005","19.6508","0.0009","90","","90","","90","","1591.35","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C68 H80 Br4 N4 O4 -","4","1","","Jhang, Yuan-Ye; Fan-Chiang, Tai-Ting; Huang, Jun-Min; Hsieh, Jen-Chieh","Copper-Catalyzed Annulation: A Method for the Systematic Synthesis of Phenanthridinium Bromide.","Organic letters","2016","18","5","1154","","10.1021/acs.orglett.6b00269","","","0.71073","MoKα","","0.0509","0.0343","","","0.0667","0.0716","","","","","","0.994","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542534","18.7959","0.0005","22.7469","0.0005","8.0182","0.0002","90","","90","","90","","3428.17","0.15","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","2","","Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido","3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation.","Organic letters","2016","18","5","1206","","10.1021/acs.orglett.6b00367","","","1.54178","CuKα","","0.0647","0.041","","","0.0884","0.097","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542535","5.1196","0.0002","11.2852","0.0005","18.9656","0.0007","90","","97.224","0.003","90","","1087.05","0.08","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F N O3 S -","- C11 H10 F N O3 S -","- C44 H40 F4 N4 O12 S4 -","4","1","","Lorion, Mélanie M; Duarte, Filipe J. S.; Calhorda, Maria José; Oble, Julie; Poli, Giovanni","Opening the Way to Catalytic Aminopalladation/Proxicyclic Dehydropalladation: Access to Methylidene γ-Lactams.","Organic letters","2016","18","5","1020","","10.1021/acs.orglett.6b00143","","","0.71073","MoKα","","0.0478","0.0354","","","0.0917","0.0995","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542567","17.9422","0.0011","9.9101","0.0007","19.1301","0.0011","90","","99.879","0.005","90","","3351.1","0.4","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C168 H136 N24 O8 -","8","1","","Chen, Zhengkai; Li, Hongli; Dong, Weipeng; Miao, Maozhong; Ren, Hongjun","I2-Catalyzed Oxidative Coupling Reactions of Hydrazones and Amines and the Application in the Synthesis of 1,3,5-Trisubstituted 1,2,4-Triazoles.","Organic letters","2016","18","6","1334","1337","10.1021/acs.orglett.6b00277","","","0.71073","MoKα","","0.0645","0.0458","","","0.1051","0.1175","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542570","7.02512","0.00015","8.17982","0.00017","10.0807","0.0002","104.135","0.0018","104.019","0.0018","91.6954","0.0018","542.58","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","(R)-7-chloro-1-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a] quinoline-4-carbaldehyde","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C26 H20 Cl2 N2 O4 -","2","2","","Sanchez-Diez, Eduardo; Vesga, Diana L.; Reyes, Efraim; Uria, Uxue; Carrillo, Luisa; Vicario, Jose L.","Organocatalytically Generated Donor-Acceptor Cyclopropanes in Domino Reactions. One-Step Enantioselective Synthesis of Pyrrolo[1,2-a]quinolines.","Organic letters","2016","18","6","1270","1273","10.1021/acs.orglett.6b00173","","","1.54184","CuKα","","0.0327","0.0318","","","0.0852","0.0861","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542573","10.0072","0.001","23.043","0.002","9.4047","0.0009","90","","110.772","0.002","90","","2027.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 -","- C26 H19 N3 O2 -","- C104 H76 N12 O8 -","4","1","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.","Organic letters","2016","18","6","1342","1345","10.1021/acs.orglett.6b00281","","","0.71073","MoKα","","0.1","0.0489","","","0.1134","0.1436","","","","","","0.923","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542574","12.2576","0.0016","19.07","0.002","11.4688","0.0015","90","","97.837","0.002","90","","2655.8","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl3 N3 O3 -","- C28 H22 Cl3 N3 O3 -","- C112 H88 Cl12 N12 O12 -","4","1","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.","Organic letters","2016","18","6","1342","1345","10.1021/acs.orglett.6b00281","","","0.71073","MoKα","","0.0879","0.0722","","","0.202","0.2199","","","","","","1.03","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542575","13.3161","0.0018","7.7509","0.0011","33.992","0.005","90","","90","","90","","3508.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Br N4 -","- C21 H15 Br N4 -","- C168 H120 Br8 N32 -","8","1","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.","Organic letters","2016","18","6","1342","1345","10.1021/acs.orglett.6b00281","","","0.71073","MoKα","","0.1112","0.0562","","","0.1338","0.1597","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542576","7.2935","0.0006","8.8494","0.0008","19.329","0.0017","90","","90","","90","","1247.55","0.19","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Sun, Wang-Bin; Wang, Xuan; Sun, Bing-Feng; Zou, Jian-Ping; Lin, Guo-Qiang","Catalytic Asymmetric Total Synthesis of Hedyosumins A, B, and C.","Organic letters","2016","18","6","1219","1221","10.1021/acs.orglett.6b00150","","","0.71073","MoKα","","0.0468","0.0417","","","0.1092","0.113","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542577","5.5435","0.0006","7.7426","0.0009","27.879","0.003","90","","90","","90","","1196.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Sun, Wang-Bin; Wang, Xuan; Sun, Bing-Feng; Zou, Jian-Ping; Lin, Guo-Qiang","Catalytic Asymmetric Total Synthesis of Hedyosumins A, B, and C.","Organic letters","2016","18","6","1219","1221","10.1021/acs.orglett.6b00150","","","0.71073","MoKα","","0.0519","0.0497","","","0.1155","0.1179","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542589","11.1357","0.0009","10.6585","0.0008","17.1362","0.0015","90","","90.608","0.001","90","","2033.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Wang, Nan-Nan; Huang, Lei-Rong; Hao, Wen-Juan; Zhang, Tian-Shu; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synergistic Rhodium/Copper Catalysis: Synthesis of 1,3-Enynes and N-Aryl Enaminones.","Organic letters","2016","18","6","1298","1301","10.1021/acs.orglett.6b00238","","","0.71073","MoKα","","0.1808","0.0494","","","0.0647","0.0762","","","","","","0.944","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542590","13.2144","0.0012","5.6194","0.0005","14.8801","0.0013","90","","111.914","0.002","90","","1025.11","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl O -","- C26 H21 Cl O -","- C52 H42 Cl2 O2 -","2","1","","Wang, Nan-Nan; Huang, Lei-Rong; Hao, Wen-Juan; Zhang, Tian-Shu; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synergistic Rhodium/Copper Catalysis: Synthesis of 1,3-Enynes and N-Aryl Enaminones.","Organic letters","2016","18","6","1298","1301","10.1021/acs.orglett.6b00238","","","0.71073","MoKα","","0.1724","0.0676","","","0.0701","0.1065","","","","","","0.973","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542596","7.2371","0.0007","9.8802","0.001","15.9674","0.0016","90","","97.002","0.002","90","","1133.2","0.2","199","2","199","2","","","","","","","","6","P 1 21 1","P 2yb","4","19a","","","- C18 H27 Cl N2 O12 S -","- C18 H27 Cl N2 O12 S -","- C36 H54 Cl2 N4 O24 S2 -","2","1","","Liang, Yong; Suzol, Sazzad H.; Wen, Zhiwei; Artiles, Alain G.; Mathivathanan, Logesh; Raptis, Raphael G.; Wnuk, Stanislaw F.","Uracil Nucleosides with Reactive Group at C5 Position: 5-(1-Halo-2-sulfonylvinyl)uridine Analogues.","Organic letters","2016","18","6","1418","1421","10.1021/acs.orglett.6b00346","","","0.71073","MoKα","","0.0764","0.0597","","","0.1166","0.1251","","","","","","1.156","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542597","8.2793","0.0012","22.107","0.004","12.8092","0.0019","90","","105.304","0.003","90","","2261.3","0.6","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","24","","","- C23 H24 N2 O4 S2 -","- C23 H24 N2 O4 S2 -","- C92 H96 N8 O16 S8 -","4","1","","Liang, Yong; Suzol, Sazzad H.; Wen, Zhiwei; Artiles, Alain G.; Mathivathanan, Logesh; Raptis, Raphael G.; Wnuk, Stanislaw F.","Uracil Nucleosides with Reactive Group at C5 Position: 5-(1-Halo-2-sulfonylvinyl)uridine Analogues.","Organic letters","2016","18","6","1418","1421","10.1021/acs.orglett.6b00346","","","0.71073","MoKα","","0.1719","0.0759","","","0.1066","0.132","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542598","17.751","0.004","6.9635","0.0016","26.097","0.005","90","","107.904","0.006","90","","3069.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C164 H128 N8 O4 -","4","1","","Jiang, Pingping; Xu, Yongbao; Sun, Fuxing; Liu, Xufei; Li, Feng; Yu, Renfu; Li, Yang; Wang, Qifeng","Pd(II)-Catalyzed ortho-C-H Olefination/Dearomatization of N-Aryl Ureas: An Approach to Imine Derivatives.","Organic letters","2016","18","6","1426","1429","10.1021/acs.orglett.6b00363","","x-ray","0.71073","MoKα","","0.1028","0.0491","","","0.1029","0.1262","","","","","","0.891","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542599","20.5458","0.0011","14.0737","0.0007","20.9813","0.0011","90","","108.671","0.002","90","","5747.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 N2 O -","- C37 H30 N2 O -","- C296 H240 N16 O8 -","8","2","","Jiang, Pingping; Xu, Yongbao; Sun, Fuxing; Liu, Xufei; Li, Feng; Yu, Renfu; Li, Yang; Wang, Qifeng","Pd(II)-Catalyzed ortho-C-H Olefination/Dearomatization of N-Aryl Ureas: An Approach to Imine Derivatives.","Organic letters","2016","18","6","1426","1429","10.1021/acs.orglett.6b00363","","x-ray","0.71073","MoKα","","0.1489","0.0549","","","0.1121","0.1543","","","","","","0.978","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542600","19.0371","0.0013","9.7457","0.0007","18.7726","0.0012","90","","114.993","0.002","90","","3156.7","0.4","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C164 H128 N8 O4 -","4","1","","Jiang, Pingping; Xu, Yongbao; Sun, Fuxing; Liu, Xufei; Li, Feng; Yu, Renfu; Li, Yang; Wang, Qifeng","Pd(II)-Catalyzed ortho-C-H Olefination/Dearomatization of N-Aryl Ureas: An Approach to Imine Derivatives.","Organic letters","2016","18","6","1426","1429","10.1021/acs.orglett.6b00363","","","0.71073","MoKα","","0.1247","0.0511","","","0.1101","0.1446","","","","","","0.999","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542620","11.4484","0.0005","18.1806","0.001","25.8417","0.0012","90","","98.082","0.004","90","","5325.2","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H43 O5.5 -","- C27 H42 O5.25 -","- C216 H336 O42 -","8","2","","Liu, Zhaoming; Chen, Yan; Chen, Senhua; Liu, Yayue; Lu, Yongjun; Chen, Dongni; Lin, Yongcheng; Huang, Xishan; She, Zhigang","Aspterpenacids A and B, Two Sesterterpenoids from a Mangrove Endophytic Fungus Aspergillus terreus H010.","Organic letters","2016","18","6","1406","1409","10.1021/acs.orglett.6b00336","","","1.54178","CuKα","","0.1294","0.1006","","","0.2739","0.3189","","","","","","1.182","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542621","10.42","0.0013","11.567","0.0015","12.233","0.0017","60.629","0.007","74.155","0.012","87.858","0.013","1227.9","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N3 O7.5 -","- C26 H28 N3 O7.5 -","- C52 H56 N6 O15 -","2","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71075","MoKα","","0.0658","0.0492","","","0.1219","0.1316","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542622","8.8587","0.0018","18.447","0.004","9.759","0.002","90","","110.87","0.03","90","","1490.1","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl N4 O7 -","- C14 H9 Cl N4 O7 -","- C56 H36 Cl4 N16 O28 -","4","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0433","0.0338","","","0.0894","0.0964","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542623","8.201","0.004","11.187","0.005","17.705","0.007","91.352","0.004","103.004","0.007","105.472","0.006","1519.3","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 F N3 O7 -","- C33 H34 F N3 O7 -","- C66 H68 F2 N6 O14 -","2","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0791","0.048","","","0.0978","0.1068","","","","","","1.051","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542624","10.485","0.0002","10.4852","0.0002","13.306","0.0003","79.14","0.03","67.26","0.03","76.51","0.03","1304","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N3 O5 -","- C30 H29 N3 O5 -","- C60 H58 N6 O10 -","2","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0543","0.0346","","","0.0827","0.0882","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542625","5.5058","0.0011","26.046","0.007","11.867","0.002","90","","97.83","0.03","90","","1685.9","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71073","MoKα","","0.0539","0.0345","","","0.0688","0.0742","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542626","13.4022","0.0009","10.939","0.0006","16.5069","0.0011","90","","91.481","0.004","90","","2419.2","0.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N3 O5 -","- C29 H27 N3 O5 -","- C116 H108 N12 O20 -","4","1","","Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie","Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.","Organic letters","2016","18","6","1486","1489","10.1021/acs.orglett.6b00456","","","0.71075","MoKα","","0.0681","0.0512","","","0.124","0.1348","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542629","9.0373","0.0006","6.9446","0.0005","20.7426","0.0016","90","","100.138","0.004","90","","1281.49","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dhanasekaran, Sivasankaran; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Approach to Isoindolinones, Isoquinolinones, and THIQs via Lewis Acid-Catalyzed Domino Strecker-Lactamization/Alkylations.","Organic letters","2016","18","4","634","637","10.1021/acs.orglett.5b03331","","","0.71073","MoKα","","0.0714","0.057","","","0.1748","0.1886","","","","","","1.142","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542630","8.4076","0.0001","9.6355","0.0001","20.2875","0.0003","90","","98.838","0.001","90","","1624.01","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Dhanasekaran, Sivasankaran; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Approach to Isoindolinones, Isoquinolinones, and THIQs via Lewis Acid-Catalyzed Domino Strecker-Lactamization/Alkylations.","Organic letters","2016","18","4","634","637","10.1021/acs.orglett.5b03331","","","0.71073","MoKα","","0.0485","0.0389","","","0.1041","0.1143","","","","","","0.84","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542631","8.5688","0.001","19.141","0.003","21.222","0.003","90","","90","","90","","3480.7","0.8","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","1","","Izumi, Sanae; Kobayashi, Yusuke; Takemoto, Yoshiji","Catalytic Asymmetric Synthesis of anti-α,β-Diamino Acid Derivatives.","Organic letters","2016","18","4","696","699","10.1021/acs.orglett.5b03666","","","0.71075","MoKα","","0.1257","0.0704","","","0.1451","0.1697","","","","","","1.04","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542632","10.8044","0.0014","6.7767","0.0008","12.3031","0.0014","90","","113.354","0.015","90","","827","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C38 H30 Br2 O8 -","2","1","","Sun, Xue-Li; Chen, Ying-Han; Zhu, Dan-Yang; Zhang, Yan; Liu, Yan-Kai","Substrate-Controlled, One-Pot Synthesis: Access to Chiral Chroman-2-one and Polycyclic Derivatives.","Organic letters","2016","18","4","864","867","10.1021/acs.orglett.6b00160","","","1.54184","CuKα","","0.0783","0.0577","","","0.1378","0.1759","","","","","","1.098","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542633","7.1955","0.0001","19.2595","0.0003","7.6395","0.0001","90","","101.353","0.002","90","","1037.98","0.03","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C46 H56 O10 -","2","1","","Wang, Peng; Li, Rui-Jun; Liu, Rui-Huan; Jian, Kai-Li; Yang, Ming-Hua; Yang, Lei; Kong, Ling-Yi; Luo, Jun","Sarglaperoxides A and B, Sesquiterpene-Normonoterpene Conjugates with a Peroxide Bridge from the Seeds of Sarcandra glabra.","Organic letters","2016","18","4","832","835","10.1021/acs.orglett.6b00112","","","1.54184","CuKα","","0.0361","0.0358","","","0.1017","0.1023","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542634","10.6087","0.0013","12.4575","0.0014","10.8471","0.0015","90","","104.219","0.013","90","","1389.6","0.3","291.48","0.1","291.48","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Song, Dengpeng; Wang, Zhengshen; Mei, Ruoming; Zhang, Weiwei; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Short and Scalable Total Synthesis of Myrioneuron Alkaloids (±)-α,β-Myrifabral A and B.","Organic letters","2016","18","4","669","671","10.1021/acs.orglett.6b00005","","x-ray","1.54184","CuKα","","0.077","0.0576","","","0.1606","0.1779","","","","","","1.083","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542635","10.139","0.004","11.268","0.005","11.71","0.005","92.64","0.005","97.053","0.005","92.437","0.005","1324.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N3 O3 -","- C31 H31 N3 O3 -","- C62 H62 N6 O6 -","2","1","","Tian, Yaming; Tian, Lumin; Li, Chunju; Jia, Xueshun; Li, Jian","Temperature-Dependent Double Isocyanide Insertion Reaction To Construct a Polycyclic Skeleton.","Organic letters","2016","18","4","840","843","10.1021/acs.orglett.6b00131","","","0.71073","MoKα","","0.0708","0.0487","","","0.1265","0.1402","","","","","","1.205","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542636","11.499","0.005","25.987","0.01","18.929","0.006","90","","115.027","0.019","90","","5125","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O3 -","- C30 H29 N3 O3 -","- C240 H232 N24 O24 -","8","2","","Tian, Yaming; Tian, Lumin; Li, Chunju; Jia, Xueshun; Li, Jian","Temperature-Dependent Double Isocyanide Insertion Reaction To Construct a Polycyclic Skeleton.","Organic letters","2016","18","4","840","843","10.1021/acs.orglett.6b00131","","","0.71073","MoKα","","0.1467","0.0744","","","0.1989","0.2465","","","","","","0.99","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542637","7.873","0.0019","11.346","0.003","15.84","0.004","80.449","0.003","77.035","0.002","74.443","0.003","1319.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Br N3 O -","- C33 H26 Br N3 O -","- C66 H52 Br2 N6 O2 -","2","1","","Tian, Yaming; Tian, Lumin; Li, Chunju; Jia, Xueshun; Li, Jian","Temperature-Dependent Double Isocyanide Insertion Reaction To Construct a Polycyclic Skeleton.","Organic letters","2016","18","4","840","843","10.1021/acs.orglett.6b00131","","","0.71073","MoKα","","0.0447","0.0327","","","0.0757","0.0811","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542638","9.9587","0.0008","12.7222","0.001","9.7025","0.0008","90","","94.493","0.008","90","","1225.5","0.17","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O -","- C16 H11 N O -","- C64 H44 N4 O4 -","4","1","","Zhang, Lianpeng; Peng, Zhixing; Wen, Qiaodong; Li, Xihui; Lu, Ping; Wang, Yanguang","Copper-Catalyzed Preparation of 2-Aryl-3-cyanobenzofurans with Bright Blue Photoluminescence.","Organic letters","2016","18","4","728","731","10.1021/acs.orglett.5b03704","","","0.71073","MoKα","","0.0691","0.0428","","","0.1023","0.1195","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542639","32.528","0.007","6.026","0.0012","9.305","0.0019","90","","90","","90","","1823.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 F N O5 -","- C16 H28 F N O5 -","- C64 H112 F4 N4 O20 -","4","1","","Hu, Xiang-Guo; Lawer, Aggie; Peterson, Matthew B.; Iranmanesh, Hasti; Ball, Graham E.; Hunter, Luke","Diastereoselective Synthesis and Conformational Analysis of (2R)- and (2S)-Fluorostatines: An Approach Based on Organocatalytic Fluorination of a Chiral Aldehyde.","Organic letters","2016","18","4","662","665","10.1021/acs.orglett.5b03592","","","0.71073","Synchrotron","","0.0643","0.0598","","","0.1423","0.1444","","","","","","1.159","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542640","8.28533","0.00015","11.53237","0.00019","14.1641","0.0003","111.2","0.0017","94.4487","0.0016","93.4599","0.0014","1252.27","0.04","290.7","0.1","290.7","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O5 S -","- C28 H22 N2 O5 S -","- C56 H44 N4 O10 S2 -","2","1","","Wang, Kai-Kai; Jin, Tian; Huang, Xin; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","α-Regioselective Asymmetric [3 + 2] Annulations of Morita-Baylis-Hillman Carbonates with Cyclic 1-Azadienes and Mechanism Elucidation.","Organic letters","2016","18","4","872","875","10.1021/acs.orglett.6b00189","","x-ray","1.54184","CuKα","","0.0381","0.0368","","","0.1004","0.1015","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542641","15.5173","0.0004","9.24556","0.00019","15.6647","0.0005","90","","90.404","0.002","90","","2247.3","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O4 S -","- C26 H21 N O4 S -","- C104 H84 N4 O16 S4 -","4","1","","Wang, Kai-Kai; Jin, Tian; Huang, Xin; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","α-Regioselective Asymmetric [3 + 2] Annulations of Morita-Baylis-Hillman Carbonates with Cyclic 1-Azadienes and Mechanism Elucidation.","Organic letters","2016","18","4","872","875","10.1021/acs.orglett.6b00189","","x-ray","1.54184","CuKα","","0.0762","0.0696","","","0.2006","0.209","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542642","8.797","0.0012","12.2522","0.0017","22.914","0.003","90","","90","","90","","2469.7","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O5 S -","- C28 H24 N2 O5 S -","- C112 H96 N8 O20 S4 -","4","1","","Wang, Kai-Kai; Jin, Tian; Huang, Xin; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","α-Regioselective Asymmetric [3 + 2] Annulations of Morita-Baylis-Hillman Carbonates with Cyclic 1-Azadienes and Mechanism Elucidation.","Organic letters","2016","18","4","872","875","10.1021/acs.orglett.6b00189","","","0.71073","MoKα","","0.0478","0.0433","","","0.0993","0.1027","","","","","","1","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542643","16.262","0.003","8.2789","0.0017","15.194","0.003","90","","90","","90","","2045.6","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H21 B F2 N2 -","- C24 H21 B F2 N2 -","- C96 H84 B4 F8 N8 -","4","1","","Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.","Organic letters","2016","18","4","736","739","10.1021/acs.orglett.5b03706","","","0.71073","MoKα","","0.099","0.049","","","0.1086","0.1349","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542644","17.9538","0.0017","8.2467","0.0008","14.4494","0.0014","90","","90","","90","","2139.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","1e","","","- C25 H23 B F2 N2 O -","- C25 H23 B F2 N2 O -","- C100 H92 B4 F8 N8 O4 -","4","1","","Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.","Organic letters","2016","18","4","736","739","10.1021/acs.orglett.5b03706","","","0.71073","MoKα","","0.0372","0.0322","","","0.0848","0.0884","","","","","","1.038","","","","has coordinates","177299","2020-10-21","18:00:00",""
"1542645","13.143","0.0018","13.3965","0.0019","15.473","0.002","67.831","0.002","78.64","0.002","87.648","0.002","2471.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 B F2 N2 -","- C30 H25 B F2 N2 -","- C120 H100 B4 F8 N8 -","4","2","","Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.","Organic letters","2016","18","4","736","739","10.1021/acs.orglett.5b03706","","","0.71073","MoKα","","0.1758","0.09","","","0.272","0.3361","","","","","","1.033","","","","has coordinates","177299","2020-10-21","18:00:00",""
"1542646","11.523","0.0005","16.7116","0.0006","17.0577","0.0008","90","","106.759","0.005","90","","3145.2","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 N4 -","- C43 H28 N4 -","- C172 H112 N16 -","4","1","","Huang, Jau-Jiun; Hung, Yu-Hsiang; Ting, Pei-Ling; Tsai, Yu-Ning; Gao, Huan-Jie; Chiu, Tien-Lung; Lee, Jiun-Haw; Chen, Chi-Lin; Chou, Pi-Tai; Leung, Man-Kit","Orthogonally Substituted Benzimidazole-Carbazole Benzene As Universal Hosts for Phosphorescent Organic Light-Emitting Diodes.","Organic letters","2016","18","4","672","675","10.1021/acs.orglett.5b03631","","","1.54178","CuKα","","0.0709","0.0466","","","0.11","0.1296","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542647","9.8285","0.0001","13.81","0.0002","17.3341","0.0002","90","","91.02","0.001","90","","2352.41","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N3 O0.5 -","- C31 H23 N3 O0.5 -","- C124 H92 N12 O2 -","4","1","","Huang, Jau-Jiun; Hung, Yu-Hsiang; Ting, Pei-Ling; Tsai, Yu-Ning; Gao, Huan-Jie; Chiu, Tien-Lung; Lee, Jiun-Haw; Chen, Chi-Lin; Chou, Pi-Tai; Leung, Man-Kit","Orthogonally Substituted Benzimidazole-Carbazole Benzene As Universal Hosts for Phosphorescent Organic Light-Emitting Diodes.","Organic letters","2016","18","4","672","675","10.1021/acs.orglett.5b03631","","","1.54178","CuKα","","0.0459","0.0406","","","0.1159","0.1227","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542648","6.8291","0.0007","15.1012","0.0015","16.8892","0.0018","90","","100.705","0.003","90","","1711.4","0.3","145","2","145","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Ag Br F8 N2 -","- C16 H8 Ag Br F8 N2 -","- C64 H32 Ag4 Br4 F32 N8 -","4","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0734","0.0548","","","0.1262","0.1445","","","","","","1.115","","","","has coordinates","177302","2020-10-21","18:00:00",""
"1542649","6.598","0.0006","17.1674","0.0015","14.6901","0.0012","90","","95.676","0.003","90","","1655.8","0.2","145","2","145","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Br Cu F8 N2 -","- C16 H8 Br Cu F8 N2 -","- C64 H32 Br4 Cu4 F32 N8 -","4","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0891","0.0659","","","0.1273","0.1382","","","","","","1.238","","","","has coordinates","177302","2020-10-21","18:00:00",""
"1542650","6.1276","0.0006","8.3737","0.0008","12.5585","0.0011","108.992","0.002","90.118","0.002","90.223","0.002","609.3","0.1","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H4 Br F8 N O2 -","- C10 H4 Br F8 N O2 -","- C20 H8 Br2 F16 N2 O4 -","2","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0573","0.0382","","","0.0719","0.0781","","","","","","1.09","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542651","5.9092","0.0004","15.55","0.001","13.5414","0.0008","90","","91.044","0.002","90","","1244.09","0.14","144","2","144","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 Br F8 N -","- C11 H4 Br F8 N -","- C44 H16 Br4 F32 N4 -","4","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0357","0.0256","","","0.0545","0.058","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542652","6.0576","0.0003","8.4076","0.0005","15.1254","0.0008","73.883","0.001","89.304","0.001","89.536","0.001","739.99","0.07","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br F12 N O2 -","- C12 H4 Br F12 N O2 -","- C24 H8 Br2 F24 N2 O4 -","2","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0488","0.0392","","","0.0849","0.0885","","","","","","1.153","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542653","5.9088","0.0004","8.397","0.0005","15.6935","0.0009","105.477","0.001","90.42","0.002","91.565","0.002","750.05","0.08","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H4 Br F12 N -","- C13 H4 Br F12 N -","- C26 H8 Br2 F24 N2 -","2","1","","Kaplan, Peter T.; Vicic, David A.","Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.","Organic letters","2016","18","4","884","886","10.1021/acs.orglett.6b00032","","","0.71073","MoKα","","0.0556","0.042","","","0.0775","0.0812","","","","","","1.203","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542654","5.9263","0.0002","14.358","0.0004","17.7263","0.0006","90","","90","","90","","1508.33","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Sekikawa, Tohru; Kitaguchi, Takayuki; Kitaura, Hayato; Minami, Tatsuya; Hatanaka, Yasuo","Anti-Selective Asymmetric Nitro-Michael Reaction of Furanones: Diastereocontrol by Catalyst.","Organic letters","2016","18","4","646","649","10.1021/acs.orglett.5b03539","","","1.54178","CuKα","","0.0549","0.0475","","","0.1135","0.1198","","","","","","1.155","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542655","9.715","0.003","10.003","0.003","13.038","0.003","105.483","0.005","98.771","0.002","111.44","0.004","1091.5","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C48 H52 N8 O8 -","2","1","","Zhao, Hong-Wu; Li, Bo; Pang, Hai-Liang; Tian, Ting; Chen, Xiao-Qin; Song, Xiu-Qing; Meng, Wei; Yang, Zhao; Zhao, Yu-Di; Liu, Yue-Yang","Diastereoselective 1,3-Dipolar Cycloadditions of N,N'-Cyclic Azomethine Imines with Iminooxindoles for Access to Oxindole Spiro-N,N-bicyclic Heterocycles.","Organic letters","2016","18","4","848","851","10.1021/acs.orglett.6b00139","","","0.71073","MoKα","","0.0558","0.0435","","","0.1084","0.1123","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542656","11.338","0.002","11.077","0.002","18.981","0.004","90","","106.186","0.002","90","","2289.4","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Cl6 O2 P S2 -","- C20 H11 Cl6 O2 P S2 -","- C80 H44 Cl24 O8 P4 S8 -","4","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.058","0.0413","","","0.0944","0.1041","","","","","","1.109","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542657","8.3936","0.0003","15.6127","0.0006","10.697","0.0004","90","","100.496","0.001","90","","1378.35","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H9 O3 P S -","- C18 H9 O3 P S -","- C72 H36 O12 P4 S4 -","4","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0572","0.0425","","","0.0987","0.1066","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542658","3.9829","0.0003","10.6559","0.0007","17.2702","0.0011","86.043","0.004","89.121","0.004","81.767","0.004","723.68","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 P S3 -","- C18 H9 P S3 -","- C36 H18 P2 S6 -","2","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0329","0.0275","","","0.057","0.0593","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542659","16.762","0.002","22.071","0.003","7.4782","0.001","90","","90","","90","","2766.6","0.6","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H9 O2 P S -","- C18 H9 O2 P S -","- C144 H72 O16 P8 S8 -","8","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0342","0.0313","","","0.0681","0.0695","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542660","11.099","0.003","11.479","0.003","14.854","0.003","90","","95.89","0.002","90","","1882.5","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F2 N O4 P S -","- C21 H16 F2 N O4 P S -","- C84 H64 F8 N4 O16 P4 S4 -","4","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0687","0.0424","","","0.0975","0.1101","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542661","9.166","0.007","10.699","0.008","15.212","0.012","90","","101.527","0.009","90","","1461.7","1.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H9 O P S3 -","- C18 H9 O P S3 -","- C72 H36 O4 P4 S12 -","4","1","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0384","0.0347","","","0.1257","0.1316","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542662","8.0119","0.0012","20.775","0.003","34.265","0.005","90","","90","","90","","5703.3","1.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H9 O P S2 -","- C18 H9 O P S2 -","- C288 H144 O16 P16 S32 -","16","2","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0469","0.0349","","","0.0727","0.0778","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542663","8.675","0.008","19.74","0.018","15.454","0.012","90","","106.49","0.04","90","","2538","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N O3 P -","- C30 H28 N O3 P -","- C120 H112 N4 O12 P4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates.","Organic letters","2016","18","4","880","883","10.1021/acs.orglett.6b00273","","","0.71073","MoKα","","0.1603","0.073","","","0.1594","0.2124","","","","","","1","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542664","16.58","0.006","10.731","0.004","17.82","0.007","90","","104.369","0.005","90","","3071","2","296","2","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H36 N O9 P S -","- C29 H36 N O9 P S -","- C116 H144 N4 O36 P4 S4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates.","Organic letters","2016","18","4","880","883","10.1021/acs.orglett.6b00273","","","0.71073","MoKα","","0.0989","0.0513","","","0.119","0.1441","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542665","11.0944","0.0019","14.838","0.002","13.848","0.002","90","","105.603","0.004","90","","2195.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl3 N2 Rh -","- C19 H26 Cl3 N2 Rh -","- C76 H104 Cl12 N8 Rh4 -","4","1","","Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)-Catalyzed Synthesis of N-Unprotected Indoles from Imidamides and Diazo Ketoesters via C-H Activation and C-C/C-N Bond Cleavage.","Organic letters","2016","18","4","700","703","10.1021/acs.orglett.5b03669","","","0.71073","MoKα","","0.0844","0.0674","","","0.143","0.1497","","","","","","1.218","","","","has coordinates","177315","2020-10-21","18:00:00",""
"1542666","4.4677","0.0002","16.8234","0.0008","20.1968","0.0011","90","","92.566","0.005","90","","1516.51","0.13","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br N2 O2 -","- C17 H13 Br N2 O2 -","- C68 H52 Br4 N8 O8 -","4","1","","Ma, Haichao; Li, Dianjun; Yu, Wei","Synthesis of Quinoxaline Derivatives via Tandem Oxidative Azidation/Cyclization Reaction of N-Arylenamines.","Organic letters","2016","18","4","868","871","10.1021/acs.orglett.6b00148","","x-ray","0.71073","MoKα","","0.068","0.0432","","","0.0741","0.0838","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542667","7.8754","0.0001","9.4243","0.0001","32.1424","0.0004","90","","90","","90","","2385.61","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","","Wan, Luo-Sheng; Shao, Li-Dong; Fu, Liangbing; Xu, Jun; Zhu, Guo-Lei; Peng, Xing-Rong; Li, Xiao-Nian; Li, Yan; Qiu, Ming-Hua","One-Step Semisynthesis of a Segetane Diterpenoid from a Jatrophane Precursor via a Diels-Alder Reaction.","Organic letters","2016","18","3","496","499","10.1021/acs.orglett.5b03473","","","1.54178","CuKα","","0.0311","0.031","","","0.0814","0.0815","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542668","8.317","0.0015","16.04","0.003","23.373","0.005","108.62","0.006","98.945","0.007","90.295","0.005","2913.9","1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H32 S -","- C42 H32 S -","- C168 H128 S4 -","4","2","","Bhanuchandra, M.; Yorimitsu, Hideki; Osuka, Atsuhiro","Synthesis of Spirocyclic Diarylfluorenes by One-Pot Twofold SNAr Reactions of Diaryl Sulfones with Diarylmethanes.","Organic letters","2016","18","3","384","387","10.1021/acs.orglett.5b03384","","","1.54187","CuKα","","0.0612","0.0541","","","0.1467","0.1513","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542669","7.4947","0.0008","10.4244","0.0011","12.3741","0.0015","83","0.012","82.694","0.011","81.603","0.007","943.36","0.19","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H15 F3 S -","- C26 H15 F3 S -","- C52 H30 F6 S2 -","2","1","","Bhanuchandra, M.; Yorimitsu, Hideki; Osuka, Atsuhiro","Synthesis of Spirocyclic Diarylfluorenes by One-Pot Twofold SNAr Reactions of Diaryl Sulfones with Diarylmethanes.","Organic letters","2016","18","3","384","387","10.1021/acs.orglett.5b03384","","","1.54187","CuKα","","0.035","0.0331","","","0.0909","0.0922","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542670","16.9083","0.0003","5.97938","0.00011","23.1232","0.0004","90","","103.885","0.001","90","","2269.47","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 S -","- C24 H32 N2 O3 S -","- C96 H128 N8 O12 S4 -","4","2","","Yoshizaki, Soichi; Nakamura, Yu; Masutomi, Koji; Yoshida, Tomoka; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of 1,6-Enynes with Cyclopropylideneacetamides.","Organic letters","2016","18","3","388","391","10.1021/acs.orglett.5b03387","","","1.54187","CuKα","","0.0712","0.0463","","","0.1158","0.1451","","","","","","1.124","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542671","13.7519","0.0002","14.9993","0.0002","22.6562","0.0003","90","","90","","90","","4673.27","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O6 S -","- C28 H20 N2 O6 S -","- C224 H160 N16 O48 S8 -","8","1","","Kumar, N. N. Bhuvan; Kutateladze, Andrei G.","Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications.","Organic letters","2016","18","3","460","463","10.1021/acs.orglett.5b03503","","","0.71073","MoKα","","0.0575","0.0374","","","0.108","0.1326","","","","","","0.784","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542672","9.1645","0.0001","8.7385","0.0001","18.3694","0.0003","90","","104.426","0.001","90","","1424.71","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Kumar, N. N. Bhuvan; Kutateladze, Andrei G.","Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications.","Organic letters","2016","18","3","460","463","10.1021/acs.orglett.5b03503","","","0.71073","MoKα","","0.039","0.0373","","","0.1023","0.1061","","","","","","0.602","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542673","17.6228","0.0003","12.8352","0.0003","14.1014","0.0002","90","","91.786","0.001","90","","3188.08","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl N2 O3 -","- C19 H13 Cl N2 O3 -","- C152 H104 Cl8 N16 O24 -","8","1","","Kumar, N. N. Bhuvan; Kutateladze, Andrei G.","Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications.","Organic letters","2016","18","3","460","463","10.1021/acs.orglett.5b03503","","","0.71073","MoKα","","0.0371","0.0323","","","0.0879","0.0991","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542674","12.2329","0.0004","17.7221","0.0006","19.3408","0.0006","69.034","0.002","72.015","0.002","72.867","0.002","3643.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 S4 Si2 -","- C36 H50 S4 Si2 -","- C144 H200 S16 Si8 -","4","2","","Chang, Shao-Ling; Lu, Chih-Wen; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Yen-Ju","Synthesis and Molecular Properties of Two Isomeric Dialkylated Tetrathienonaphthalenes.","Organic letters","2016","18","3","368","371","10.1021/acs.orglett.5b03294","","","0.71073","MoKα","","0.0728","0.0511","","","0.14","0.1759","","","","","","1.127","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542675","11.715","0.003","12.209","0.003","15.564","0.004","76.856","0.006","75.796","0.006","79.474","0.006","2082.4","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 S4 Si2 -","- C36 H48 S4 Si2 -","- C72 H96 S8 Si4 -","2","1","","Chang, Shao-Ling; Lu, Chih-Wen; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Yen-Ju","Synthesis and Molecular Properties of Two Isomeric Dialkylated Tetrathienonaphthalenes.","Organic letters","2016","18","3","368","371","10.1021/acs.orglett.5b03294","","","0.71073","MoKα","","0.092","0.0557","","","0.1801","0.196","","","","","","1.051","","","","has coordinates,has disorder","177325","2020-10-21","18:00:00",""
"1542676","9.9595","0.0013","12.5319","0.0019","14.6208","0.0019","90","","97.484","0.007","90","","1809.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C96 H72 O12 -","4","1","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.0868","0.054","","","0.1043","0.1189","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542677","7.6359","0.0014","8.6199","0.0016","10.087","0.002","80.935","0.012","79.666","0.013","69.242","0.012","607.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C32 H24 O6 -","2","1","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.062","0.0553","","","0.1558","0.164","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542678","9.4895","0.0018","8.7747","0.0017","19.062","0.004","90","","101.174","0.01","90","","1557.2","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.0431","0.0375","","","0.0993","0.1042","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542679","9.3485","0.0005","13.5764","0.0007","10.5947","0.0005","90","","101.444","0.003","90","","1317.94","0.12","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.035","0.0334","","","0.0824","0.0839","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542680","10.0417","0.0011","18.527","0.002","26.755","0.003","90","","90","","90","","4977.6","0.9","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C256 H192 O48 -","16","2","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.1117","0.0973","","","0.1673","0.1734","","","","","","1.312","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542681","9.3342","0.0006","10.9832","0.0008","19.0771","0.0013","103.527","0.004","91.081","0.004","99.292","0.004","1873.3","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","2","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.0655","0.0529","","","0.1293","0.1382","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542682","10.761","0.004","5.854","0.002","19.673","0.007","90","","102.693","0.006","90","","1209","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl F3 N O -","- C12 H11 Cl F3 N O -","- C48 H44 Cl4 F12 N4 O4 -","4","1","","Fu, Mingyang; Chen, Long; Jiang, Yongpeng; Jiang, Zhong-Xing; Yang, Zhigang","Copper-Catalyzed Intermolecular Chloro- and Bromotrifluoromethylation of Alkenes.","Organic letters","2016","18","3","348","351","10.1021/acs.orglett.5b03080","","","0.71073","MoKα","","0.136","0.1271","","","0.3472","0.3509","","","","","","1.1","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542683","27.2716","0.0008","10.7113","0.0003","11.2422","0.0003","90","","90.5644","0.0009","90","","3283.85","0.16","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H36 Br N2 O4.5 S -","- C36 H36 Br N2 O4.5 S -","- C144 H144 Br4 N8 O18 S4 -","4","1","","Wang, Shoulei; Rodriguez-Escrich, Carles; Pericàs, Miquel A","H-Bond-Directing Organocatalyst for Enantioselective [4 + 2] Cycloadditions via Dienamine Catalysis.","Organic letters","2016","18","3","556","559","10.1021/acs.orglett.5b03575","","","0.71073","MoKα","","0.0443","0.0343","","","0.0693","0.0724","","","","","","1.054","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542684","3.9105","0.0006","10.8964","0.0017","12.403","0.002","97.328","0.003","94.957","0.003","92.265","0.003","521.54","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C26 H20 N4 S2 -","2","1","","Sharma, Shivani; Pathare, Ramdas S.; Maurya, Antim K.; Gopal, Kandasamy; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.","Ruthenium Catalyzed Intramolecular C-S Coupling Reactions: Synthetic Scope and Mechanistic Insight.","Organic letters","2016","18","3","356","359","10.1021/acs.orglett.5b03185","","","0.71073","MoKα","","0.0369","0.0311","","","0.0732","0.0762","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542685","13.1514","0.0009","12.8014","0.0009","7.2224","0.0006","90","","105.094","0.002","90","","1173.99","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Sharma, Shivani; Pathare, Ramdas S.; Maurya, Antim K.; Gopal, Kandasamy; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.","Ruthenium Catalyzed Intramolecular C-S Coupling Reactions: Synthetic Scope and Mechanistic Insight.","Organic letters","2016","18","3","356","359","10.1021/acs.orglett.5b03185","","","0.71073","MoKα","","0.035","0.0299","","","0.076","0.0792","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542686","9.921","0.0009","17.9238","0.0015","12.9555","0.0011","90","","90.022","","90","","2303.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 N2 O4 -","- C26 H22 Cl2 N2 O4 -","- C104 H88 Cl8 N8 O16 -","4","1","","Zhou, Yunfei; Zhu, Jianming; Li, Bo; Zhang, Yong; Feng, Jia; Hall, Adrian; Shi, Jiye; Zhu, Weiliang","Access to Different Isomeric Dibenzoxazepinones through Copper-Catalyzed C-H Etherification and C-N Bond Construction with Controllable Smiles Rearrangement.","Organic letters","2016","18","3","380","383","10.1021/acs.orglett.5b03378","","","0.71073","MoKα","","0.0447","0.0338","","","0.0895","0.1003","","","","","","1.101","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542687","14.8316","0.0003","16.4395","0.0003","7.8011","0.0002","90","","93.277","0.001","90","","1898.99","0.07","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C96 H68 Cl4 N8 O12 -","4","1","","Zhou, Yunfei; Zhu, Jianming; Li, Bo; Zhang, Yong; Feng, Jia; Hall, Adrian; Shi, Jiye; Zhu, Weiliang","Access to Different Isomeric Dibenzoxazepinones through Copper-Catalyzed C-H Etherification and C-N Bond Construction with Controllable Smiles Rearrangement.","Organic letters","2016","18","3","380","383","10.1021/acs.orglett.5b03378","","","0.71073","MoKα","","0.0503","0.0371","","","0.0914","0.0984","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542688","21.0972","0.0018","15.0686","0.0013","14.2085","0.0012","90","","128.249","0.002","90","","3547.3","0.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Octa-bromo Perylenecarboxylicdianhydride","","","- C32 H16 Br8 O8 -","- C32 H16 Br8 O8 -","- C128 H64 Br32 O32 -","4","0.5","","Kumar, Yogendra; Kumar, Sharvan; Kumar Keshri, Sudhir; Shukla, Jyoti; Singh, Shiv Shankar; Thakur, Tejender S.; Denti, Mitchell; Facchetti, Antonio; Mukhopadhyay, Pritam","Synthesis of Octabromoperylene Dianhydride and Diimides: Evidence of Halogen Bonding and Semiconducting Properties.","Organic letters","2016","18","3","472","475","10.1021/acs.orglett.5b03513","","","0.71073","MoKα","","0.0653","0.0389","","","0.121","0.135","","","","","","0.893","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542689","10.487","0.0012","13.0919","0.0016","16.145","0.002","90","","90","","90","","2216.6","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","1","","Pawar, Govind Goroba; Brahmanandan, Abhilashamole; Kapur, Manmohan","Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group.","Organic letters","2016","18","3","448","451","10.1021/acs.orglett.5b03493","","","0.71073","MoKα","","0.1808","0.0642","","","0.1441","0.1926","","","","","","0.978","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542690","10.839","0.005","23.282","0.01","24.36","0.011","90","","90","","90","","6147","5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Br N2 O -","- C34 H35 Br N2 O -","- C272 H280 Br8 N16 O8 -","8","2","","Li, Xuanyi; Xu, Xiuyan; Wei, Weiwei; Lin, Aijun; Yao, Hequan","Organocatalyzed Asymmetric 1,6-Conjugate Addition of para-Quinone Methides with Dicyanoolefins.","Organic letters","2016","18","3","428","431","10.1021/acs.orglett.5b03471","","","0.71073","MoKα","","0.162","0.0547","","","0.105","0.1408","","","","","","0.958","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542691","5.8834","0.0013","11.064","0.002","11.101","0.002","90","","102.611","0.006","90","","705.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 F N2 O2 S -","- C14 H17 F N2 O2 S -","- C28 H34 F2 N4 O4 S2 -","2","1","","Hajra, Saumen; Aziz, Sk Mohammad; Jana, Bibekananda; Mahish, Prosenjit; Das, Dhiraj","Synthesis of Chiral Spiro-Aziridine Oxindoles via Aza-Corey-Chaykovsky Reaction of Isatin Derived N-tert-Butanesulfinyl Ketimines.","Organic letters","2016","18","3","532","535","10.1021/acs.orglett.5b03564","","","0.71073","MoKα","","0.0459","0.0379","","","0.0893","0.0967","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542692","10.3073","0.0005","11.8581","0.0005","21.8138","0.0008","90","","94.816","0.004","90","","2656.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O5 -","- C32 H31 N O5 -","- C128 H124 N4 O20 -","4","1","","Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong","Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.","Organic letters","2016","18","3","600","603","10.1021/acs.orglett.5b03662","","x-ray","0.71073","MoKα","","0.0778","0.0605","","","0.1494","0.1627","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542693","18.3718","0.0011","5.6809","0.0003","40.089","0.003","90","","100.975","0.006","90","","4107.5","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C208 H160 F24 N8 O8 -","8","1","","Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong","Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.","Organic letters","2016","18","3","600","603","10.1021/acs.orglett.5b03662","","x-ray","0.71073","MoKα","","0.0892","0.0589","","","0.132","0.1504","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542694","10.2357","0.0007","10.5168","0.0006","12.7893","0.0006","71.454","0.005","71.195","0.006","73.002","0.006","1207.61","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 F2 N O3 -","- C29 H25 F2 N O3 -","- C58 H50 F4 N2 O6 -","2","1","","Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong","Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.","Organic letters","2016","18","3","600","603","10.1021/acs.orglett.5b03662","","x-ray","0.71073","MoKα","","0.0789","0.0566","","","0.1365","0.1541","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542695","7.8269","0.0015","8.7254","0.0017","23.407","0.005","90","","90","","90","","1598.5","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Liu, Chenguang; Zeng, Zhixiong; Chen, Renzhi; Jiang, Xunjin; Wang, Yinglu; Zhang, Yandong","Total Synthesis of (+)-Fusarisetin A Driven by a One-Pot Four-Reaction Process.","Organic letters","2016","18","3","624","627","10.1021/acs.orglett.6b00036","","","0.71073","MoKα","","0.0731","0.0617","","","0.1399","0.1466","","","","","","1.085","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542696","7.9582","0.0015","8.0654","0.0015","13.665","0.003","82.257","0.003","84.908","0.003","72.622","0.003","828.3","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br2 O2 S -","- C18 H12 Br2 O2 S -","- C36 H24 Br4 O4 S2 -","2","1","","Wang, Miao; Xiang, Jia-Chen; Cheng, Yan; Wu, Yan-Dong; Wu, An-Xin","Synthesis of 2,4,5-Trisubstituted Furans via a Triple C(sp(3))-H Functionalization Reaction Using Rongalite as the C1 Unit.","Organic letters","2016","18","3","524","527","10.1021/acs.orglett.5b03552","","","0.71073","MoKα","","0.0671","0.0542","","","0.1705","0.1835","","","","","","1.013","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542697","7.573","0.009","8.012","0.01","15.475","0.019","77.359","0.016","78.217","0.017","86.315","0.018","896.7","1.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 O4 S2 -","- C19 H16 O4 S2 -","- C38 H32 O8 S4 -","2","1","","Wang, Miao; Xiang, Jia-Chen; Cheng, Yan; Wu, Yan-Dong; Wu, An-Xin","Synthesis of 2,4,5-Trisubstituted Furans via a Triple C(sp(3))-H Functionalization Reaction Using Rongalite as the C1 Unit.","Organic letters","2016","18","3","524","527","10.1021/acs.orglett.5b03552","","","0.71073","MoKα","","0.1033","0.0593","","","0.163","0.1816","","","","","","0.962","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542698","9.645","0.0004","11.531","0.0005","23.18","0.0009","92.059","0.002","90.249","0.002","95.534","0.002","2564.25","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H14.5 Cl4.5 N3 O8 -","- C23.5 H14.5 Cl4.5 N3 O8 -","- C94 H58 Cl18 N12 O32 -","4","2","","Yoon, Ina; Suh, Sung-Eun; Barros, Stephanie A.; Chenoweth, David M.","Synthesis of 9-Substituted Triptycene Building Blocks for Solid-Phase Diversification and Nucleic Acid Junction Targeting.","Organic letters","2016","18","5","1096","","10.1021/acs.orglett.6b00169","","","0.71073","MoKα","","0.0644","0.0553","","","0.1464","0.1568","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542699","5.5492","0.0005","10.9097","0.0011","11.6094","0.0012","102.644","0.003","93.799","0.003","96.078","0.003","679.03","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 F N O -","- C17 H16 F N O -","- C34 H32 F2 N2 O2 -","2","1","","Wang, Yi-Feng; Hu, Ming; Hayashi, Hirohito; Xing, Bengang; Chiba, Shunsuke","Linking of Alcohols with Vinyl Azides.","Organic letters","2016","18","5","992","","10.1021/acs.orglett.6b00116","","","0.71073","","","0.0756","0.0518","","","0.1228","0.138","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542700","7.6378","0.0005","15.9147","0.0011","18.2712","0.0013","90","","90","","90","","2220.9","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl2 F3 N2 O3 -","- C22 H17 Cl2 F3 N2 O3 -","- C88 H68 Cl8 F12 N8 O12 -","4","1","","Li, Xiaoyuan; Su, Jinhuan; Liu, Zhourujun; Zhu, Yuanyuan; Dong, Zhenghao; Qiu, Shuai; Wang, Jiayi; Lin, Li; Shen, Zhiqiang; Yan, Wenjin; Wang, Kairong; Wang, Rui","Synthesis of Chiral α-Trifluoromethylamines with 2,2,2-Trifluoroethylamine as a ""Building Block"".","Organic letters","2016","18","5","956","","10.1021/acs.orglett.5b03566","","","0.71073","MoKα","","0.0436","0.0369","","","0.0924","0.0978","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542701","10.2811","0.0014","11.149","0.0016","11.3115","0.0017","90","","115.56","0.002","90","","1169.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl F3 N2 O3 -","- C26 H20 Cl F3 N2 O3 -","- C52 H40 Cl2 F6 N4 O6 -","2","1","","Li, Xiaoyuan; Su, Jinhuan; Liu, Zhourujun; Zhu, Yuanyuan; Dong, Zhenghao; Qiu, Shuai; Wang, Jiayi; Lin, Li; Shen, Zhiqiang; Yan, Wenjin; Wang, Kairong; Wang, Rui","Synthesis of Chiral α-Trifluoromethylamines with 2,2,2-Trifluoroethylamine as a ""Building Block"".","Organic letters","2016","18","5","956","","10.1021/acs.orglett.5b03566","","","0.71073","MoKα","","0.0307","0.0294","","","0.0678","0.0688","","","","","","1.005","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542702","7.0244","0.0003","7.2782","0.0003","10.394","0.0004","99.34","0.002","92.323","0.001","91.732","0.002","523.55","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 F3 N3 O -","- C10 H6 F3 N3 O -","- C20 H12 F6 N6 O2 -","2","1","","Pieber, Bartholomäus; Kappe, C. Oliver","Generation and Synthetic Application of Trifluoromethyl Diazomethane Utilizing Continuous Flow Technologies.","Organic letters","2016","18","5","1076","","10.1021/acs.orglett.6b00194","","","0.71073","MoKα","","0.0521","0.0409","","","0.1092","0.117","","","","","","1.032","","","","has coordinates","177352","2020-10-21","18:00:00",""
"1542703","5.584","0.0004","11.7071","0.0009","12.0947","0.0009","85.184","0.005","83.294","0.005","87.881","0.005","782.18","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 F5 O3 S -","- C16 H15 F5 O3 S -","- C32 H30 F10 O6 S2 -","2","1","","Friese, Florian W.; Dreier, Anna-Lena; Matsnev, Andrej V.; Daniliuc, Constantin G.; Thrasher, Joseph S.; Haufe, Günter","Anti-Selective Aldol Reactions of Pentafluorosulfanylacetic Acid Esters with Aldehydes Mediated by Dicyclohexylchloroborane.","Organic letters","2016","18","5","1012","","10.1021/acs.orglett.6b00136","","","1.54178","CuKα","","0.1165","0.0769","","","0.1609","0.1793","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542704","10.0879","0.0006","13.4704","0.0007","16.5159","0.0009","66.318","0.002","85.001","0.002","89.698","0.002","2046.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 Cl2 F5 O3 S -","- C17 H23 Cl2 F5 O3 S -","- C68 H92 Cl8 F20 O12 S4 -","4","2","","Friese, Florian W.; Dreier, Anna-Lena; Matsnev, Andrej V.; Daniliuc, Constantin G.; Thrasher, Joseph S.; Haufe, Günter","Anti-Selective Aldol Reactions of Pentafluorosulfanylacetic Acid Esters with Aldehydes Mediated by Dicyclohexylchloroborane.","Organic letters","2016","18","5","1012","","10.1021/acs.orglett.6b00136","","","1.54178","CuKα","","0.098","0.0669","","","0.1531","0.1726","","","","","","1.099","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542705","9.2196","0.0018","6.1859","0.0012","14.23","0.003","90","","94.59","0.03","90","","809","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Wang, Jie; Wang, Mingyang; Chen, Kehao; Zha, Shanke; Song, Chao; Zhu, Jin","C-H Activation-Based Traceless Synthesis via Electrophilic Removal of a Directing Group. Rhodium(III)-Catalyzed Entry into Indoles from N-Nitroso and α-Diazo-β-keto Compounds.","Organic letters","2016","18","5","1178","","10.1021/acs.orglett.6b00310","","","1.54178","CuKα","","0.0305","0.0304","","","0.0837","0.0838","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542706","8.922","0.0018","19.474","0.004","8.18","0.0016","90","","111.49","0.03","90","","1322.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","1","","Wang, Jie; Wang, Mingyang; Chen, Kehao; Zha, Shanke; Song, Chao; Zhu, Jin","C-H Activation-Based Traceless Synthesis via Electrophilic Removal of a Directing Group. Rhodium(III)-Catalyzed Entry into Indoles from N-Nitroso and α-Diazo-β-keto Compounds.","Organic letters","2016","18","5","1178","","10.1021/acs.orglett.6b00310","","","0.71073","MoKα","","0.0917","0.0557","","","0.1469","0.177","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542707","15.7725","0.0006","9.1679","0.0003","16.4313","0.0006","90","","115.84","0.001","90","","2138.41","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C84 H116 N4 O24 -","4","1","","Shen, Xin-Yue; Peng, Xiao-Shui; Wong, Henry N. C.","Total Synthesis of (±)-Gracilioether F.","Organic letters","2016","18","5","1032","","10.1021/acs.orglett.6b00161","","","1.54178","CuKα","","0.0754","0.061","","","0.1763","0.1914","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542708","7.0953","0.0008","12.6329","0.0015","16.757","0.002","90","","90","","90","","1502","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 F N O4 S -","- C14 H18 F N O4 S -","- C56 H72 F4 N4 O16 S4 -","4","1","","Wu, Liang; Chen, Pinhong; Liu, Guosheng","Pd(II)-Catalyzed Aminofluorination of Alkenes in Total Synthesis 6-(R)-Fluoroswainsonine and 5-(R)-Fluorofebrifugine.","Organic letters","2016","18","5","960","","10.1021/acs.orglett.6b00030","","","0.71073","MoKα","","0.0462","0.0392","","","0.0858","0.0888","","","","","","0.985","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542709","3.8508","0.0001","12.3597","0.0004","18.3893","0.0006","82.341","0.002","88.727","0.002","87.157","0.002","866.25","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C44 H34 N6 O4 -","2","1","","Kumar, Gangam Srikanth; Kapur, Manmohan","Ruthenium-Catalyzed, Site-Selective C-H Allylation of Indoles with Allyl Alcohols as Coupling Partners.","Organic letters","2016","18","5","1112","","10.1021/acs.orglett.6b00217","","","0.71073","MoKα","","0.0961","0.059","","","0.1385","0.158","","","","","","1.082","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542710","9.7821","0.0009","10.3912","0.0009","35.968","0.003","90","","90","","90","","3656.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O -","- C22 H18 Br N O -","- C176 H144 Br8 N8 O8 -","8","2","","Liu, Zhen-Ting; Wang, Ya-Hui; Zhu, Fu-Lin; Hu, Xiang-Ping","Enantioselective Copper-Catalyzed Formal [4 + 2] Cycloaddition of o-Aminophenol Derivatives with Propargylic Esters for Synthesis of Optically Active 3,4-Dihydro-2H-1,4-benzoxazines.","Organic letters","2016","18","5","1190","","10.1021/acs.orglett.6b00322","","","0.71073","MoKα","","0.1165","0.044","","","0.0815","0.0985","","","","","","0.922","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542711","7.603","0.004","10.723","0.005","16.702","0.008","90","","91.919","0.006","90","","1360.9","1.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br I O -","- C15 H10 Br I O -","- C60 H40 Br4 I4 O4 -","4","1","","Sasaki, Teppei; Miyagi, Kotaro; Moriyama, Katsuhiko; Togo, Hideo","Direct Preparation of 3-Iodochromenes from 3-Aryl- and 3-Alkyl-2-propyn-1-ols with Diaryliodonium Salts and NIS.","Organic letters","2016","18","5","944","","10.1021/acs.orglett.5b03651","","","0.71073","MoKα","","0.0463","0.0379","","","0.119","0.125","","","","","","1.116","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542712","11.161","0.004","9.295","0.002","15.244","0.005","90","","94.06","0.006","90","","1577.5","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F N O4 -","- C18 H16 F N O4 -","- C72 H64 F4 N4 O16 -","4","1","","Yang, Chen; Liu, Yang; Yang, Jin-Dong; Li, Yi-He; Li, Xin; Cheng, Jin-Pei","Amination of 3-Substituted Benzofuran-2(3H)-ones Triggered by Single-Electron Transfer.","Organic letters","2016","18","5","1036","","10.1021/acs.orglett.6b00163","","","0.71073","MoKα","","0.0374","0.0334","","","0.0856","0.0886","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542713","38.088","0.005","12.3446","0.0017","34.909","0.005","90","","107.222","0.002","90","","15678","4","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C79 H72 N6 O10 -","- C79 H72 N6 O10 -","- C632 H576 N48 O80 -","8","1","","Bi, Jiahai; Zeng, Xiangfei; Tian, Demei; Li, Haibing","Temperature-Responsive Switch Constructed from an Anthracene-Functionalized Pillar[5]arene-Based Host-Guest System.","Organic letters","2016","18","5","1092","","10.1021/acs.orglett.6b00097","","","0.71073","MoKα","","0.1186","0.0643","","","0.1684","0.2003","","","","","","1.029","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542714","8.0564","0.0002","12.2225","0.0004","28.0933","0.0006","90","","90","","90","","2766.33","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O4 -","- C30 H44 O4 -","- C120 H176 O16 -","4","1","","Coffinier, Romain; Assal, Mourad El; Peixoto, Philippe A.; Bosset, Cyril; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Pouységu, Laurent; Quideau, Stéphane","Total Synthesis of (-)-Bacchopetiolone via an Asymmetric Hydroxylative Phenol Dearomatization/[4+2]-Dimerization Cascade Promoted by a Novel Salen-Type Chiral Iodane.","Organic letters","2016","18","5","1120","","10.1021/acs.orglett.6b00224","","","1.54178","CuKα","","0.0887","0.0777","","","0.2234","0.2717","","","","","","1.169","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542715","15.2095","0.0012","5.9093","0.0004","12.9247","0.0011","90","","102.997","0.008","90","","1131.88","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Bhat, Shreesha V.; Robinson, David; Moses, John E.; Sharma, Pallavi","Synthesis of Oxadiazol-5-imines via the Cyclizative Capture of in Situ Generated Cyanamide Ions and Nitrile Oxides.","Organic letters","2016","18","5","1100","","10.1021/acs.orglett.6b00203","","x-ray","1.54184","CuKα","","0.0464","0.0433","","","0.1158","0.1189","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542716","19.423","0.004","23.548","0.005","30.226","0.006","90","","98.09","0.03","90","","13687","5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H105 Br7 Cl9 N16 O19 -","- C112 H102 Br7 N16 O19 -","- C448 H408 Br28 N64 O76 -","4","1","","Li, Xuesong; Qi, Ting; Srinivas, Kolupula; Massip, Stéphane; Maurizot, Victor; Huc, Ivan","Synthesis and Multibromination of Nanosized Helical Aromatic Amide Foldamers via Segment-Doubling Condensation.","Organic letters","2016","18","5","1044","","10.1021/acs.orglett.6b00165","","","1.54178","CuKα","","0.183","0.1486","","","0.3486","0.3609","","","","","","1.5","","","","has coordinates","177365","2020-10-21","18:00:00",""
"1542717","59.25","0.012","37.63","0.008","38.83","0.008","90","","104.6","0.03","90","","83779","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C699.6 H691.6 Br14 Cl64.8 N96 O101 -","- C672 H652.6 Br14 N96 O101 -","- C2688 H2610.4 Br56 N384 O404 -","4","1","","Li, Xuesong; Qi, Ting; Srinivas, Kolupula; Massip, Stéphane; Maurizot, Victor; Huc, Ivan","Synthesis and Multibromination of Nanosized Helical Aromatic Amide Foldamers via Segment-Doubling Condensation.","Organic letters","2016","18","5","1044","","10.1021/acs.orglett.6b00165","","","0.855","synchrotron","","0.1376","0.0978","","","0.2543","0.2792","","","","","","1.095","","","","has coordinates,has disorder","177367","2020-10-21","18:00:00",""
"1542718","6.101","0.002","15.371","0.005","19.086","0.006","90","","90","","90","","1789.9","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C76 H92 N4 O12 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.049","0.0457","","","0.0813","0.0825","","","","","","1.162","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542719","5.804","0.002","22.592","0.007","6.639","0.002","90","","115.905","0.004","90","","783.1","0.4","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0301","0.0296","","","0.0755","0.0757","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542720","8.115","0.002","11.495","0.003","19.441","0.006","90","","90","","90","","1813.5","0.9","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br N O5 S -","- C18 H18 Br N O5 S -","- C72 H72 Br4 N4 O20 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0341","0.0319","","","0.0642","0.0652","","","","","","1.101","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542721","7.758","0.005","10.373","0.007","19.137","0.017","90","","90","","90","","1540","2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0542","0.0513","","","0.1095","0.1113","","","","","","1.093","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542722","14.6","0.004","14.941","0.004","16.318","0.004","90","","90","","90","","3559.6","1.6","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br F3 N O4 S -","- C17 H13 Br F3 N O4 S -","- C136 H104 Br8 F24 N8 O32 S8 -","8","2","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0669","0.0588","","","0.1141","0.1206","","","","","","1.12","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542723","5.9781","0.0018","19.198","0.006","7.657","0.002","90","","108.46","0.003","90","","833.6","0.4","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O3 S -","- C16 H18 Br N O3 S -","- C32 H36 Br2 N2 O6 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.029","0.0277","","","0.0671","0.0678","","","","","","1.111","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542724","5.4849","0.0014","12.639","0.003","24.563","0.007","90","","90","","90","","1702.8","0.8","223.15","","223.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 O3 S -","- C16 H18 N4 O3 S -","- C64 H72 N16 O12 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0493","0.0474","","","0.0993","0.1003","","","","","","1.141","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542725","7.819","0.002","11.246","0.003","9.64","0.002","90","","94.539","0.004","90","","845","0.4","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O4 S -","- C17 H16 Br N O4 S -","- C34 H32 Br2 N2 O8 S2 -","2","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0316","0.0301","","","0.062","0.0629","","","","","","1.107","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542736","14.8667","","23.2445","","16.5946","","90","","91.203","","90","","5733.31","","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 F6 N4 O8 Os S2 -","- C22 H17 F6 N4 O8 Os S2 -","- C176 H136 F48 N32 O64 Os8 S16 -","8","2","","Sugimoto, Hideki; Kanetake, Takayuki; Maeda, Kazuki; Itoh, Shinobu","Oxidative Cyclization of 1,5-Dienes with Hydrogen Peroxide Catalyzed by an Osmium(III) Complex: Synthesis of cis-Tetrahydrofurans.","Organic letters","2016","18","6","1246","1249","10.1021/acs.orglett.6b00064","","","0.71075","MoKα","","","0.0777","","","","0.1876","","","","","","1.132","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542741","4.832","0.0007","30.042","0.005","13.79","0.002","90","","90.81","0.004","90","","2001.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C108 H76 N12 O4 -","4","1","","Wang, Fen; Wang, He; Wang, Qiang; Yu, Songjie; Li, Xingwei","Co(III)-Catalyzed Synthesis of Quinazolines via C-H Activation of N-Sulfinylimines and Benzimidates.","Organic letters","2016","18","6","1306","1309","10.1021/acs.orglett.6b00227","","","0.71073","MoKα","","0.0967","0.0505","","","0.1328","0.1685","","","","","","0.896","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542743","10.375","0.002","16.767","0.004","10.757","0.002","90","","97.534","0.004","90","","1855.1","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl N O2 S -","- C22 H16 Cl N O2 S -","- C88 H64 Cl4 N4 O8 S4 -","4","1","","Zhang, Liangliang; Chen, Su; Gao, Yuzhen; Zhang, Pengbo; Wu, Yile; Tang, Guo; Zhao, Yufen","tert-Butyl Hydroperoxide Mediated Cascade Synthesis of 3-Arylsulfonylquinolines.","Organic letters","2016","18","6","1286","1289","10.1021/acs.orglett.6b00198","","","0.71073","MoKα","","0.0766","0.0644","","","0.1371","0.1434","","","","","","1.156","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542744","9.1055","0.0002","9.4967","0.0002","30.8939","0.0007","90","","90","","90","","2671.46","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","1","","Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers.","Organic letters","2016","18","6","1470","1473","10.1021/acs.orglett.6b00416","","","1.54178","CuKα","","0.0564","0.0492","","","0.1383","0.1457","","","","","","0.95","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542745","8.8082","0.0018","19.624","0.004","9.7487","0.0019","90","","95.42","0.03","90","","1677.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers.","Organic letters","2016","18","6","1470","1473","10.1021/acs.orglett.6b00416","","","0.71073","MoKα","","0.0975","0.0652","","","0.1822","0.2244","","","","","","0.952","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542888","19.4893","0.0016","19.4893","0.0016","21.1331","0.0018","90","","90","","90","","8027","1.2","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C31 H34 N2 O4 P2 Ru -","- C31 H34 N2 O4 P2 Ru -","- C248 H272 N16 O32 P16 Ru8 -","8","1","","Tan, Xuefeng; Wang, Guozhen; Zhu, Ziyue; Ren, Conghui; Zhou, Jinping; Lv, Hui; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Lina; Zhang, Xumu","Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex.","Organic letters","2016","18","7","1518","1521","10.1021/acs.orglett.6b00060","","","0.71073","MoKα","","0.0595","0.039","","","0.0843","0.0926","","","","","","1.007","","","","has coordinates,has disorder","181443","2020-10-21","18:00:00",""
"1542889","6.2663","0.001","14.1771","0.0019","16.226","0.003","90","","97.633","0.004","90","","1428.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Cao, Tao; Ma, Shengming","Highly Stereo- and Regioselective Hydrocarboxylation of Diynes with Carbon Dioxide.","Organic letters","2016","18","7","1510","1513","10.1021/acs.orglett.6b00028","","","0.71073","MoKα","","0.1064","0.0586","","","0.1381","0.1629","","","","","","1.014","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542890","7.9442","0.0011","9.3857","0.0012","10.6485","0.0015","68.342","0.003","77.473","0.003","84.276","0.003","720.18","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C28 H36 O12 -","2","1","","Cao, Tao; Ma, Shengming","Highly Stereo- and Regioselective Hydrocarboxylation of Diynes with Carbon Dioxide.","Organic letters","2016","18","7","1510","1513","10.1021/acs.orglett.6b00028","","","0.71073","MoKα","","0.064","0.0518","","","0.1436","0.1558","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542891","9.556","0.009","10.061","0.01","10.958","0.01","73.61","0.02","65.525","0.016","68.71","0.02","882.6","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Zhang, Jingjing; Gao, Qinghe; Wu, Xia; Geng, Xiao; Wu, Yan-Dong; Wu, Anxin","Dual Roles of Methyl Ketones in Radziszewski-Type Reaction: Formal [2 + 1 + 1 + 1] Synthesis of 1,2,5-Trisubstituted Imidazoles.","Organic letters","2016","18","7","1686","1689","10.1021/acs.orglett.6b00607","","","0.71073","MoKα","","0.0436","0.0385","","","0.1274","0.1424","","","","","","1.102","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542909","6.088","0.0007","12.5452","0.0013","23.207","0.002","90","","90","","90","","1772.4","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O2 S3 -","- C17 H19 N3 O2 S3 -","- C68 H76 N12 O8 S12 -","4","1","","Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya","Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp.","Organic letters","2016","18","7","1658","1661","10.1021/acs.orglett.6b00531","","","0.71069","MoKα","","0.12","0.0998","","","0.2021","0.2117","","","","","","1.21","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542910","9.8806","0.0014","10.4876","0.0015","17.144","0.003","90","","90","","90","","1776.5","0.5","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O2 S3 -","- C17 H19 N3 O2 S3 -","- C68 H76 N12 O8 S12 -","4","1","","Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya","Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp.","Organic letters","2016","18","7","1658","1661","10.1021/acs.orglett.6b00531","","","0.71073","MoKα","","0.035","0.0332","","","0.084","0.0861","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542923","8.7087","0.0002","31.9349","0.0006","14.3643","0.0003","90","","123.574","0.001","90","","3328.42","0.13","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O Si -","- C17 H26 O Si -","- C136 H208 O8 Si8 -","8","2","","Kanno, Hiroshi; Nakamura, Kyosuke; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Cycloisomerization of 2-Silylethynyl Phenols and Anilines via 1,2-Silicon Migration.","Organic letters","2016","18","7","1654","1657","10.1021/acs.orglett.6b00529","","","1.54187","CuKα","","0.0399","0.0385","","","0.1065","0.1078","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542924","16.557","0.002","10.8619","0.0015","9.5381","0.0013","90","","99.792","0.003","90","","1690.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia","Rhodium(III) Catalyzed Carboamination of Alkenes Triggered by C-H Activation of N-Phenoxyacetamides under Redox-Neutral Conditions.","Organic letters","2016","18","7","1702","1705","10.1021/acs.orglett.6b00616","","","0.71073","MoKα","","0.106","0.0511","","","0.1122","0.1355","","","","","","0.995","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542925","9.841","0.0003","15.741","0.0005","17.1529","0.0006","90","","104.041","0.001","90","","2577.72","0.15","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 B N S -","- C32 H32 B N S -","- C128 H128 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Yang, Deng-Tao; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes.","Organic letters","2016","18","7","1626","1629","10.1021/acs.orglett.6b00485","","","0.71073","MoKα","","0.0442","0.0381","","","0.1023","0.1077","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542926","21.303","0.003","13.582","0.002","9.6038","0.0012","90","","95.171","0.005","90","","2767.4","0.7","152","2","152","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 B N3 -","- C34 H36 B N3 -","- C136 H144 B4 N12 -","4","1","","Shi, Yong-Gang; Yang, Deng-Tao; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes.","Organic letters","2016","18","7","1626","1629","10.1021/acs.orglett.6b00485","","","0.71073","MoKα","","0.0882","0.047","","","0.0965","0.1101","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542930","8.0503","0.0013","8.2338","0.0013","12.787","0.0018","78.396","0.006","73.972","0.006","85.069","0.007","797.6","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Murayama, Hiroaki; Nagao, Kazunori; Ohmiya, Hirohisa; Sawamura, Masaya","Phosphine-Catalyzed Vicinal Acylcyanation of Alkynoates.","Organic letters","2016","18","7","1706","1709","10.1021/acs.orglett.6b00677","","","0.71075","MoKα","","0.0488","0.0385","","","0.1141","0.1189","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542943","13.0334","0.0006","8.6509","0.0004","17.4221","0.0011","90","","101.862","0.005","90","","1922.41","0.18","293.6","0.1","293.6","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H17 F4 N O -","- C23 H17 F4 N O -","- C92 H68 F16 N4 O4 -","4","1","","Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives.","Organic letters","2016","18","8","1784","1787","10.1021/acs.orglett.6b00447","","x-ray","0.71073","MoKα","","0.1333","0.0674","","","0.1551","0.2076","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542944","22.905","0.004","7.8263","0.0009","15.601","0.0017","90","","90","","90","","2796.7","0.7","273.77","0.1","273.77","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F5 O -","- C16 H11 F5 O -","- C128 H88 F40 O8 -","8","1","","Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives.","Organic letters","2016","18","8","1784","1787","10.1021/acs.orglett.6b00447","","x-ray","0.71","MoKα","","0.201","0.0835","","","0.2207","0.2986","","","","","","0.993","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542945","11.2485","0.0003","11.2825","0.0003","20.3694","0.0006","90","","100.559","0.001","90","","2541.33","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.0505","0.05","","","0.1211","0.1214","","","","","","1.126","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542946","10.7495","0.0003","10.9897","0.0003","11.3193","0.0003","90","","106.928","0.001","90","","1279.25","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O4 -","- C29 H42 O4 -","- C58 H84 O8 -","2","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.0313","0.0313","","","0.0803","0.0804","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542947","11.0867","0.0004","10.5463","0.0004","11.7485","0.0004","90","","109.197","0.001","90","","1297.29","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O4 -","- C29 H42 O4 -","- C58 H84 O8 -","2","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.071","0.0709","","","0.19","0.1902","","","","","","1.116","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542948","8.6184","0.0002","16.3163","0.0004","17.7667","0.0004","90","","90","","90","","2498.36","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.0338","0.0336","","","0.0864","0.0866","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542949","13.38314","0.00017","6.24052","0.00006","16.58575","0.00016","90","","105.584","0.0012","90","","1334.28","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","1","","Hilario-Martínez, J Ciciolil; Zeferino-Díaz, Reyna; Muñoz-Hernández, Miguel A; Hernández-Linares, Ma Guadalupe; Cabellos, José Luis; Merino, Gabriel; Sandoval-Ramírez, Jesús; Jin, Zhendong; Fernández-Herrera, María A","Regioselective Spirostan E-Ring Opening for the Synthesis of Dihydropyran Steroidal Frameworks.","Organic letters","2016","18","8","1772","1775","10.1021/acs.orglett.6b00492","","x-ray","1.54184","CuKα","","0.0524","0.0517","","","0.1446","0.1455","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542950","11.2415","0.0007","12.0721","0.0007","12.4456","0.0007","71.657","0.001","70.424","0.001","72.905","0.001","1476.55","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 F6 I N3 O8 S2 -","- C22 H22 F6 I N3 O8 S2 -","- C44 H44 F12 I2 N6 O16 S4 -","2","1","","Kelley, Brandon T.; Walters, Jennifer C.; Wengryniuk, Sarah E.","Access to Diverse Oxygen Heterocycles via Oxidative Rearrangement of Benzylic Tertiary Alcohols.","Organic letters","2016","18","8","1896","1899","10.1021/acs.orglett.6b00672","","","0.71073","MoKα","","0.0433","0.0299","","","0.0652","0.0683","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542951","9.2002","0.0009","9.5076","0.0009","11.4762","0.0011","101.253","0.002","101.453","0.002","103.53","0.002","925.3","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 F6 O2 -","- C20 H18 F6 O2 -","- C40 H36 F12 O4 -","2","1","","Kelley, Brandon T.; Walters, Jennifer C.; Wengryniuk, Sarah E.","Access to Diverse Oxygen Heterocycles via Oxidative Rearrangement of Benzylic Tertiary Alcohols.","Organic letters","2016","18","8","1896","1899","10.1021/acs.orglett.6b00672","","","0.71073","MoKα","","0.0489","0.0392","","","0.0916","0.0977","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542952","13.5634","0.0004","9.094","0.0003","15.4845","0.0004","90","","100.494","0.0011","90","","1878","0.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Kim, Youyoung; Park, Juhyeon; Chang, Sukbok","A Direct Access to 7-Aminoindoles via Iridium-Catalyzed Mild C-H Amidation of N-Pivaloylindoles with Organic Azides.","Organic letters","2016","18","8","1892","1895","10.1021/acs.orglett.6b00662","","","0.71073","MoKα","","0.0616","0.0429","","","0.1096","0.1202","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542953","7.9172","0.0004","9.9111","0.0006","12.2268","0.0007","71.212","0.0017","89.404","0.0016","76.745","0.0015","882","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C44 H30 Br2 N4 O2 -","2","1","","Martinez-Ariza, Guillermo; McConnell, Nicholas; Hulme, Christopher","One-Pot Two-Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines toward α-Oxo-acetamidines.","Organic letters","2016","18","8","1864","1867","10.1021/acs.orglett.6b00634","","","0.71073","MoKα","","0.0345","0.0307","","","0.0767","0.0785","","","","","","1.068","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542954","9.2118","0.0005","9.4709","0.0006","10.8004","0.0006","84.286","0.001","77.568","0.001","64.183","0.001","828.32","0.08","100","","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C44 H36 N4 O2 -","2","1","","Martinez-Ariza, Guillermo; McConnell, Nicholas; Hulme, Christopher","One-Pot Two-Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines toward α-Oxo-acetamidines.","Organic letters","2016","18","8","1864","1867","10.1021/acs.orglett.6b00634","","","0.71073","MoKα","","0.0398","0.0371","","","0.0942","0.0967","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542971","11.2913","0.0017","9.9716","0.0015","12.7496","0.0019","90","","115.977","0.002","90","","1290.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Br N O2 -","- C14 H14 Br N O2 -","- C56 H56 Br4 N4 O8 -","4","1","","Gade, Amol B.; Patil, Nitin T.","Gold(I)-Catalyzed Hydroaminaloxylation and Petasis-Ferrier Rearrangement Cascade of Aminaloalkynes.","Organic letters","2016","18","8","1844","1847","10.1021/acs.orglett.6b00585","","","0.71073","MoKα","","0.0858","0.0452","","","0.0969","0.1149","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542972","6.2853","0.0001","10.2495","0.0002","23.3386","0.0005","90","","90","","90","","1503.5","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C68 H80 Cl4 N4 O8 -","4","1","","Gade, Amol B.; Patil, Nitin T.","Gold(I)-Catalyzed Hydroaminaloxylation and Petasis-Ferrier Rearrangement Cascade of Aminaloalkynes.","Organic letters","2016","18","8","1844","1847","10.1021/acs.orglett.6b00585","","","0.71073","MoKα","","0.0238","0.0236","","","0.0532","0.0533","","","","","","1.102","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542973","11.8546","0.0009","8.9058","0.0007","17.5841","0.0016","90","","92.201","0.001","90","","1855.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Hao, Wen-Juan; Du, Yan; Wang, Dan; Jiang, Bo; Gao, Qian; Tu, Shu-Jiang; Li, Guigen","Catalytic Diazosulfonylation of Enynals toward Diazoindenes via Oxidative Radical-Triggered 5-exo-trig Carbocyclizations.","Organic letters","2016","18","8","1884","1887","10.1021/acs.orglett.6b00655","","","0.71073","MoKα","","0.107","0.0495","","","0.0971","0.1176","","","","","","1","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542974","11.2207","0.0008","11.9968","0.0009","14.8113","0.0012","69.493","0.001","75.67","0.002","69.385","0.001","1730.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N2 O5 S -","- C44 H32 N2 O5 S -","- C88 H64 N4 O10 S2 -","2","1","","Hao, Wen-Juan; Du, Yan; Wang, Dan; Jiang, Bo; Gao, Qian; Tu, Shu-Jiang; Li, Guigen","Catalytic Diazosulfonylation of Enynals toward Diazoindenes via Oxidative Radical-Triggered 5-exo-trig Carbocyclizations.","Organic letters","2016","18","8","1884","1887","10.1021/acs.orglett.6b00655","","","0.71073","MoKα","","0.1347","0.055","","","0.1056","0.1268","","","","","","0.833","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542990","5.701","0.002","14.172","0.005","16.101","0.006","90","","96.143","0.012","90","","1293.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 O S -","- C14 H9 F3 O S -","- C56 H36 F12 O4 S4 -","4","1","","Qiao, Zongjun; Jiang, Xuefeng","Ligand-Controlled Divergent Cross-Coupling Involving Organosilicon Compounds for Thioether and Thioester Synthesis.","Organic letters","2016","18","7","1550","1553","10.1021/acs.orglett.6b00324","","","0.71073","MoKα","","0.1833","0.0851","","","0.2112","0.284","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542991","11.535","0.002","12.207","0.002","24.328","0.003","90","","97.723","0.002","90","","3394.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 N O9 -","- C39 H35 N O9 -","- C156 H140 N4 O36 -","4","1","","Chen, Gang-Gang; Wei, Jun-Qiang; Yang, Xiaoliang; Yao, Zhu-Jun","Convenient One-Step Synthesis of Benzo[c]phenanthridines by Three-Component Reactions of Isochromenylium Tetrafluoroborates and Stilbenes in Acetonitrile.","Organic letters","2016","18","7","1502","1505","10.1021/acs.orglett.6b00010","","","0.71073","MoKα","","0.0916","0.0517","","","0.1171","0.1336","","","","","","1.017","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542992","8.1304","0.0002","10.1754","0.0003","12.5578","0.0008","68.602","0.005","84.781","0.006","69.582","0.005","905.74","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O7 -","- C19 H18 N2 O7 -","- C38 H36 N4 O14 -","2","1","","Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick","Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF.","Organic letters","2016","18","7","1542","1545","10.1021/acs.orglett.6b00303","","","1.54187","CuKα","","0.0672","0.0539","","","0.1388","0.1739","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542993","9.8904","0.0002","32.7758","0.0006","18.3035","0.0013","90","","95.879","0.007","90","","5902.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 O4 Si -","- C28 H40 O4 Si -","- C224 H320 O32 Si8 -","8","2","","Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick","Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF.","Organic letters","2016","18","7","1542","1545","10.1021/acs.orglett.6b00303","","","1.54187","CuKα","","0.0774","0.0535","","","0.1472","0.1678","","","","","","1.029","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542994","9.1174","0.0002","11.1302","0.0003","12.8185","0.0003","102.653","0.002","96.246","0.002","95.869","0.002","1250.97","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 N3 S -","- C15 H9 N3 S -","- C60 H36 N12 S4 -","4","2","","Baert, François; Cabanetos, Clément; Allain, Magali; Silvestre, Virginie; Leriche, Philippe; Blanchard, Philippe","Thieno[2,3-b]indole-Based Small Push-Pull Chromophores: Synthesis, Structure, and Electronic Properties.","Organic letters","2016","18","7","1582","1585","10.1021/acs.orglett.6b00438","","x-ray","1.54184","CuKα","","0.0507","0.044","","","0.1176","0.1251","","","","","","1.085","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542995","12.496","0.003","11.563","0.003","13.831","0.003","90","","92.488","0.004","90","","1996.6","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br I N2 -","- C24 H17 Br I N2 -","- C96 H68 Br4 I4 N8 -","4","1","","Li, Ren-Hao; Ding, Cheng-Ke; Jiang, Ya-Nan; Ding, Zong-Cang; An, Xiao-Ming; Tang, Hai-Tao; Jing, Qi-Wei; Zhan, Zhuang-Ping","Synthesis of 5,6-Dihydropyrazolo[5,1-a]isoquinolines through Indium(III)-Promoted Halocyclizations of N-Propargylic Sulfonylhydrazones.","Organic letters","2016","18","7","1666","1669","10.1021/acs.orglett.6b00534","","","0.71073","MoKα","","0.0485","0.0457","","","0.1237","0.1256","","","","","","1.042","","","","has coordinates","181385","2020-10-21","18:00:00",""
"1542996","7.3389","0.0007","15.6186","0.0013","23.534","0.002","90","","90","","90","","2697.5","0.4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F N2 O3 -","- C17 H13 F N2 O3 -","- C136 H104 F8 N16 O24 -","8","1","","Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds.","Organic letters","2016","18","7","1610","1613","10.1021/acs.orglett.6b00464","","","1.54178","CuKα","","0.0353","0.0333","","0.0418","0.035","0.0346","","","","","","1.116","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542997","11.2431","0.0009","11.648","0.0009","28.604","0.003","90","","92.21","0.007","90","","3743.2","0.6","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F3 N2 O3 -","- C21 H17 F3 N2 O3 -","- C168 H136 F24 N16 O24 -","8","2","","Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds.","Organic letters","2016","18","7","1610","1613","10.1021/acs.orglett.6b00464","","","1.54178","CuKα","","0.1238","0.0493","","0.1608","0.1023","0.1608","","","","","","1.0021","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542998","9.534","0.008","12.529","0.011","17.309","0.015","85.64","0.012","85.998","0.011","68.912","0.011","1922","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","2","","Rao, Bin; Tang, Jinghua; Zeng, Xiaoming","Synthesis of 2-Benzylphenyl Ketones by Aryne Insertion into Unactivated C-C Bonds.","Organic letters","2016","18","7","1678","1681","10.1021/acs.orglett.6b00578","","","0.71073","MoKα","","0.0962","0.0537","","","0.1434","0.1629","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542999","7.122","0.0005","12.4596","0.0009","29.1959","0.0018","90","","90","","90","","2590.8","0.3","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl -","- C15 H15 Cl -","- C120 H120 Cl8 -","8","2","","Chen, Jianhui; Chen, Chenhui; Ji, Chonglei; Lu, Zhan","Cobalt-Catalyzed Asymmetric Hydrogenation of 1,1-Diarylethenes.","Organic letters","2016","18","7","1594","1597","10.1021/acs.orglett.6b00453","","","0.71073","MoKα","","0.1047","0.0579","","","0.1201","0.142","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543000","9.1755","0.0006","10.6216","0.0006","10.7652","0.0006","116.93","0.002","104.318","0.002","98.249","0.002","865.79","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N S2 -","- C21 H15 N S2 -","- C42 H30 N2 S4 -","2","1","","Iwasaki, Masayuki; Topolovčan, Nikola; Hu, Hao; Nishimura, Yugo; Gagnot, Glwadys; Na Nakorn, Rungsaeng; Yuvacharaskul, Ramida; Nakajima, Kiyohiko; Nishihara, Yasushi","Palladium-Catalyzed Regio- and Stereoselective Carbothiolation of Terminal Alkynes with Azolyl Sulfides.","Organic letters","2016","18","7","1642","1645","10.1021/acs.orglett.6b00503","","","0.71075","MoKα","","0.0794","0.0502","","","0.0993","0.1105","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543001","11.33","0.005","7.224","0.003","17.293","0.01","90","","98.28","0.02","90","","1400.6","1.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O S2 -","- C16 H13 N O S2 -","- C64 H52 N4 O4 S8 -","4","1","","Iwasaki, Masayuki; Topolovčan, Nikola; Hu, Hao; Nishimura, Yugo; Gagnot, Glwadys; Na Nakorn, Rungsaeng; Yuvacharaskul, Ramida; Nakajima, Kiyohiko; Nishihara, Yasushi","Palladium-Catalyzed Regio- and Stereoselective Carbothiolation of Terminal Alkynes with Azolyl Sulfides.","Organic letters","2016","18","7","1642","1645","10.1021/acs.orglett.6b00503","","","0.71075","MoKα","","0.0433","0.034","","","0.0882","0.0946","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543002","8.5565","0.0007","10.4912","0.0009","13.4305","0.0012","103.093","0.002","97.701","0.002","100.077","0.002","1137.06","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Br O4 S -","- C25 H23 Br O4 S -","- C50 H46 Br2 O8 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.1012","0.0646","","","0.1641","0.1803","","","","","","1.057","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543003","17.1277","0.0009","11.8028","0.0006","22.7698","0.0013","90","","108.933","0.003","90","","4354","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl O3 S -","- C24 H21 Cl O3 S -","- C192 H168 Cl8 O24 S8 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0748","0.0442","","","0.1037","0.1195","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543004","16.3404","0.0007","12.2597","0.0006","11.1997","0.0005","90","","106.631","0.002","90","","2149.76","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br O2 S -","- C25 H23 Br O2 S -","- C100 H92 Br4 O8 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0664","0.0425","","","0.1194","0.1302","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543005","9.6011","0.0004","21.5757","0.0008","10.0691","0.0004","90","","109.771","0.001","90","","1962.86","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br F O2 S -","- C23 H18 Br F O2 S -","- C92 H72 Br4 F4 O8 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0471","0.0329","","","0.0749","0.0793","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543006","8.29","0.003","16.342","0.006","39.875","0.012","90","","90","","90","","5402","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H24 Br2 F2 -","- C34 H24 Br2 F2 -","- C272 H192 Br16 F16 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0961","0.0461","","","0.0869","0.1015","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543007","11.5248","0.0007","26.0897","0.0017","15.4151","0.001","90","","93.083","0.002","90","","4628.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Br O2 S -","- C28 H23 Br O2 S -","- C224 H184 Br8 O16 S8 -","8","2","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.1419","0.0724","","","0.1909","0.2332","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543008","9.812","0.0004","10.5329","0.0005","11.5586","0.0006","97.807","0.002","101.735","0.002","116.313","0.002","1013.06","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Br O2 S -","- C24 H21 Br O2 S -","- C48 H42 Br2 O4 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0465","0.037","","","0.0965","0.1017","","","","","","1.084","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543009","10.1594","0.0006","11.9897","0.0005","12.8474","0.0008","90","","107.684","0.007","90","","1490.97","0.15","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","2","","Zhao, Feng; Li, Nan; Zhu, Yi-Fan; Han, Zhi-Yong","Enantioselective Construction of Functionalized Tetrahydrocarbazoles Enabled by Asymmetric Relay Catalysis of Gold Complex and Chiral Brønsted Acid.","Organic letters","2016","18","7","1506","1509","10.1021/acs.orglett.6b00012","","","0.71073","MoKα","","0.0992","0.0556","","","0.1243","0.1778","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543010","7.852","0.003","8.477","0.004","14.445","0.006","89.89","0.004","75.96","0.004","65.051","0.004","840.2","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H29 N O2 Si -","- C14 H29 N O2 Si -","- C28 H58 N2 O4 Si2 -","2","1","","Sasaki, Michiko; Ando, Masafumi; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Spontaneous Oxygenation of Siloxy-N-silylketenimines to α-Ketoamides.","Organic letters","2016","18","7","1598","1601","10.1021/acs.orglett.6b00455","","","0.71073","MoKα","","0.0357","0.0321","","","0.0822","0.0844","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543011","13.2577","0.0003","12.2802","0.0004","22.5646","0.0005","90","","94.431","0.002","90","","3662.7","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F3 O S -","- C22 H15 F3 O S -","- C176 H120 F24 O8 S8 -","8","2","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71073","MoKα","","0.0974","0.0569","","","0.1094","0.136","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543012","19.4188","0.0008","11.5902","0.0004","22.8272","0.0006","90","","90","","90","","5137.7","0.3","293.6","0.1","293.6","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H20 F5 N O2 S2 -","- C29 H20 F5 N O2 S2 -","- C232 H160 F40 N8 O16 S16 -","8","1","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71","MoKα","","0.0982","0.0513","","","0.1082","0.1378","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543013","10.9922","0.0006","34.479","0.002","11.1612","0.0005","90","","94.851","0.004","90","","4214.9","0.4","293.6","0.1","293.6","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 F3 O S -","- C26 H17 F3 O S -","- C208 H136 F24 O8 S8 -","8","2","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71","MoKα","","0.1456","0.0714","","","0.16","0.2072","","","","","","1.04","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543014","9.3849","0.0005","19.4808","0.0011","14.2431","0.0006","90","","93.135","0.004","90","","2600.1","0.2","273.77","0.1","273.77","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl3 F3 O3 S -","- C25 H20 Cl3 F3 O3 S -","- C100 H80 Cl12 F12 O12 S4 -","4","1","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71073","MoKα","","0.2045","0.0827","","","0.1962","0.2749","","","","","","0.963","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543015","10.6524","0.001","11.9315","0.0013","23.654","0.003","96.938","0.002","95.935","0.002","92.1575","0.0019","2964.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H86 Cl2 N4 O6 -","- C67 H86 Cl2 N4 O6 -","- C134 H172 Cl4 N8 O12 -","2","1","","Zahim, Sara; Wickramasinghe, Lasantha A.; Evano, Gwilherm; Jabin, Ivan; Schrock, Richard R.; Müller, Peter","Calix[6]azacryptand Ligand with a Sterically Protected Tren-Based Coordination Site for Metal Ions.","Organic letters","2016","18","7","1570","1573","10.1021/acs.orglett.6b00410","","","0.71073","MoKα","","0.0731","0.0485","","","0.1152","0.1291","","","","","","1.021","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543016","17.5923","0.0012","26.1314","0.0017","19.613","0.0013","90","","109.576","0.0013","90","","8495.1","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H89.2 F6 N4 O14.6 S2 Zn -","- C68 H89.204 F6 N4 O14.602 S2 Zn -","- C272 H356.816 F24 N16 O58.408 S8 Zn4 -","4","1","","Zahim, Sara; Wickramasinghe, Lasantha A.; Evano, Gwilherm; Jabin, Ivan; Schrock, Richard R.; Müller, Peter","Calix[6]azacryptand Ligand with a Sterically Protected Tren-Based Coordination Site for Metal Ions.","Organic letters","2016","18","7","1570","1573","10.1021/acs.orglett.6b00410","","","0.71073","MoKα","","0.0912","0.0573","","","0.1465","0.1709","","","","","","1.018","","","","has coordinates,has disorder","181407","2020-10-21","18:00:00",""
"1543017","13.7574","0.0006","8.8592","0.0003","18.0333","0.0006","90","","90","","90","","2197.89","0.14","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H7 B F15 N -","- C24 H7 B F15 N -","- C96 H28 B4 F60 N4 -","4","1","","Zhang, Zhenbei; Miao, Chengxia; Xia, Chungu; Sun, Wei","Synergistic Acid-Catalyzed Synthesis of N-Aryl-Substituted Azacycles from Anilines and Cyclic Ethers.","Organic letters","2016","18","7","1522","1525","10.1021/acs.orglett.6b00157","","x-ray","0.71073","MoKα","","0.0539","0.0409","","","0.0765","0.0855","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543021","8.2087","0.0001","8.2087","0.0001","44.2189","0.0005","90","","90","","90","","2979.59","0.06","173","2","173","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0325","0.0323","","","0.084","0.0843","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543022","7.1625","0.0002","7.788","0.0002","28.9103","0.0007","90","","90","","90","","1612.66","0.07","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.036","0.0352","","","0.0992","0.1004","","","","","","1.019","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543023","6.8416","0.0003","7.8031","0.0003","30.6323","0.0013","90","","90","","90","","1635.33","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0455","0.0423","","","0.122","0.1246","","","","","","1.095","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543024","8.2506","0.0002","11.8258","0.0002","16.5504","0.0003","90","","90","","90","","1614.82","0.06","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0386","0.0382","","","0.0954","0.0958","","","","","","1.036","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543025","13.4613","0.0005","9.1617","0.0004","23.4678","0.0009","90","","93.249","0.002","90","","2889.6","0.2","133","2","133","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","2","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0379","0.0351","","","0.0896","0.0916","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543034","9.6625","0.0002","21.1407","0.0006","13.3829","0.0003","90","","95.786","0.002","90","","2719.82","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H49 N O2 Si -","- C24 H49 N O2 Si -","- C96 H196 N4 O8 Si4 -","4","2","","Guignard, Guillaume; Llor, Núria; Molins, Elies; Bosch, Joan; Amat, Mercedes","Enantioselective Total Synthesis of Fluvirucinin B1.","Organic letters","2016","18","8","1788","1791","10.1021/acs.orglett.6b00513","","x-ray","1.54184","CuKα","","0.0878","0.0666","","","0.1759","0.1855","","","","","","1.153","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543035","7.2253","0.0001","13.6771","0.0003","12.9015","0.0002","90","","103.485","0.001","90","","1239.79","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N3 O2 -","- C30 H35 N3 O2 -","- C60 H70 N6 O4 -","2","1","","Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang","Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells.","Organic letters","2016","18","8","1816","1819","10.1021/acs.orglett.6b00549","","","1.54178","CuKα","","0.0367","0.0359","","","0.0957","0.0965","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543036","7.9708","0.0004","10.4075","0.0006","11.9312","0.0007","90","","95.083","0.002","90","","985.87","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 N O2.5 -","- C10 H14 N O2.5 -","- C40 H56 N4 O10 -","4","2","","Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang","Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells.","Organic letters","2016","18","8","1816","1819","10.1021/acs.orglett.6b00549","","","1.54178","CuKα","","0.0348","0.0346","","","0.0842","0.0847","","","","","","1.093","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543048","8.725","0.002","21.909","0.009","11.242","0.004","90","","97.7","0.02","90","","2129.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","","Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A.","Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives.","Organic letters","2016","18","8","1940","1943","10.1021/acs.orglett.6b00867","","","1.54178","CuKα","","0.1101","0.0409","","","0.1029","0.1324","","","","","","0.978","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543049","9.0546","0.0004","11.0539","0.0004","12.5393","0.0005","82.698","0.003","74.104","0.003","71.775","0.003","1145.32","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 O4 S -","- C22 H26 N4 O4 S -","- C44 H52 N8 O8 S2 -","2","1","","Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A.","Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives.","Organic letters","2016","18","8","1940","1943","10.1021/acs.orglett.6b00867","","","1.54186","CuKα","","0.0675","0.0574","","","0.1353","0.1421","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543050","11.3656","0.0004","11.969","0.0005","13.0198","0.0004","80.827","0.003","85.462","0.003","76.099","0.003","1695.75","0.11","295","2","295","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C68 H80 N16 O8 -","4","2","","Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A.","Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives.","Organic letters","2016","18","8","1940","1943","10.1021/acs.orglett.6b00867","","","1.54186","CuKα","","0.0671","0.0561","","","0.1628","0.1703","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543112","8.8859","0.0002","26.1897","0.0005","13.3329","0.0002","90","","91.416","0.001","90","","3101.87","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H36 Cl N O10 -","- C31 H36 Cl N O10 -","- C124 H144 Cl4 N4 O40 -","4","2","","Kashima, Kenichi; Teraoka, Kota; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Atroposelective [2 + 2 + 2] Cycloaddition of Ortho-Substituted Phenyl Diynes with Nitriles: Effect of Ortho Substituents on Regio- and Enantioselectivity.","Organic letters","2016","18","9","2170","2173","10.1021/acs.orglett.6b00791","","","1.54186","CuKα","","0.0453","0.0417","","","0.1064","0.1124","","","","","","1.067","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543115","8.814","0.006","10.352","0.007","8.529","0.006","90","","97.784","0.01","90","","771","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","","Shi, Shan; Shi, HongWei; Li, JianLong; Li, Fei; Chen, Lei; Zhang, Chao; Huang, ZhiYan; Zhao, Na; Li, Nan; Yang, Jun","Synthesis of the BCD Tricyclic Core of Densanins A and B.","Organic letters","2016","18","9","1949","1951","10.1021/acs.orglett.6b00606","","","0.71073","MoKα","","0.0432","0.0374","","","0.0975","0.1022","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543116","9.6422","0.0003","12.8786","0.0004","22.6372","0.0007","90","","90","","90","","2811.04","0.15","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Br2 N O6 S -","- C23 H33 Br2 N O6 S -","- C92 H132 Br8 N4 O24 S4 -","4","1","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0773","0.0359","","","0.0823","0.093","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543117","11.7774","0.0006","14.2384","0.0007","16.4779","0.0008","90","","93.145","0.002","90","","2759","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H33 Br2 N O6 S -","- C23 H33 Br2 N O6 S -","- C92 H132 Br8 N4 O24 S4 -","4","2","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0792","0.0424","","","0.1041","0.1267","","","","","","1.037","","","","has coordinates","187985","2020-10-21","18:00:00",""
"1543118","8.689","0.003","13.353","0.004","18.075","0.006","90","","90","","90","","2097.1","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br2 Cl3 N2 O3 -","- C16 H19 Br2 Cl3 N2 O3 -","- C64 H76 Br8 Cl12 N8 O12 -","4","1","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0853","0.0347","","","0.0425","0.0465","","","","","","0.634","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543119","23.88","0.002","7.0491","0.0006","16.984","0.0015","90","","91.271","0.002","90","","2858.3","0.4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N2 O9 -","- C34 H36 N2 O9 -","- C136 H144 N8 O36 -","4","0.5","","Gouthami, Pashikanti; Chegondi, Rambabu; Chandrasekhar, Srivari","Formal Total Synthesis of (±)-Cephalotaxine and Congeners via Aryne Insertion Reaction.","Organic letters","2016","18","9","2044","2046","10.1021/acs.orglett.6b00659","","","0.71073","MoKα","","0.0483","0.0448","","","0.1224","0.126","","","","","","1.081","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543124","9.8056","0.0009","10.1342","0.0009","13.2604","0.0013","106.4","0.002","94.409","0.002","93.758","0.002","1255.1","0.2","130","","130","","","","","","","","","6","P 1","P 1","1","","","","- C29 H21 Br N2 O3 S -","- C29 H21 Br N2 O3 S -","- C58 H42 Br2 N4 O6 S2 -","2","2","","Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia","Rhodium(III)-Catalyzed Cascade Cyclization/Electrophilic Amidation for the Synthesis of 3-Amidoindoles and 3-Amidofurans.","Organic letters","2016","18","9","2058","2061","10.1021/acs.orglett.6b00689","","","0.71073","MoKα","","0.0931","0.0517","","","0.1041","0.1182","","","","","","0.946","","","","has coordinates","185002","2020-10-21","18:00:00",""
"1543141","13.4369","0.001","13.7007","0.0009","15.474","0.0011","71.074","0.005","67.743","0.005","66.374","0.005","2364.9","0.3","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 Cl2 F3 N2 O7 P S -","- C52 H38 Cl2 F3 N2 O7 P S -","- C104 H76 Cl4 F6 N4 O14 P2 S2 -","2","1","","Nishikawa, Yasuhiro; Nakano, Saki; Tahira, Yuu; Terazawa, Kanako; Yamazaki, Ken; Kitamura, Chitoshi; Hara, Osamu","Chiral Pyridinium Phosphoramide as a Dual Brønsted Acid Catalyst for Enantioselective Diels-Alder Reaction.","Organic letters","2016","18","9","2004","2007","10.1021/acs.orglett.6b00608","","x-ray","0.71073","MoKα","","0.1179","0.0713","","","0.1896","0.2196","","","","","","1.008","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543142","13.9563","0.0009","14.4188","0.001","15.4405","0.0011","91.044","0.006","108.456","0.006","109.296","0.006","2755.5","0.4","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H21 Cl F5 N -","- C90 H21 Cl F5 N -","- C180 H42 Cl2 F10 N2 -","2","1","","Lou, Ning; Li, Yanbang; Cui, Chengxing; Liu, Yajun; Gan, Liangbing","Preparation of Azafullerene C59NR5 and Fullerene Derivative C60NAr5 with a Pyridine Moiety on the Cage Skeleton.","Organic letters","2016","18","9","2236","2239","10.1021/acs.orglett.6b00872","","","0.71073","MoKα","","0.1451","0.0976","","","0.2564","0.2894","","","","","","1.043","","","","has coordinates,has disorder","184997","2020-10-21","18:00:00",""
"1543151","26.8752","0.0002","11.059","0.0001","12.0165","0.0001","90","","111.962","0.003","90","","3312.28","0.08","193","","193","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1S,2S,3R,3aR,4R,7S,7aR)-2-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3 -(prop-1-en-2-yl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-ol","","- C19 H30 O2 -","- C19 H30 O2 -","- C152 H240 O16 -","8","1","","Parthasarathy, Gowrisankar; Eggert, Ulrike; Kalesse, Markus","Synthesis of (+)-Omphadiol and (+)-Pyxidatol C.","Organic letters","2016","18","9","2320","2322","10.1021/acs.orglett.6b00814","","","1.54187","CuKα","","0.0448","0.0433","","","0.1151","0.1166","","","","","","1.052","","","","has coordinates","184989","2020-10-21","18:00:00",""
"1543156","7.8318","0.0006","10.2287","0.0009","13.5191","0.0012","108.782","0.003","106.051","0.003","94.161","0.003","969.7","0.15","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2 -(3-(4-aminophenyl)-4-cyano-5-(dimethylamino)-1H-pyrrol-2-yl)malonate","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C40 H48 N8 O8 -","2","1","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.0526","0.04","","","0.0969","0.1044","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543157","15.0264","0.0017","19.058","0.002","15.9395","0.0019","90","","112.057","0.003","90","","4230.6","0.8","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","2","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.0762","0.0479","","","0.1115","0.1261","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543158","8.514","0.0003","22.5","0.0007","11.0395","0.0004","90","","107.154","0.001","90","","2020.71","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl 2-(5-amino-4-cyano-3-(4-(dimethylamino)phenyl)thiophen-2-yl)malonate","","- C20 H23 N3 O4 S -","- C20 H23 N3 O4 S -","- C80 H92 N12 O16 S4 -","4","2","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.037","0.0328","","","0.0791","0.0812","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543159","9.5426","0.0006","13.1663","0.0009","16.2954","0.001","90","","101.215","0.002","90","","2008.3","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2-(4-cyano-5-(dimethylamino)-3-(4-nitrophenyl)-1H-pyrrol-2-yl)malonate","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C80 H88 N16 O24 -","4","1","","Reekie, Tristan A.; Donckele, Etienne J.; Manenti, Giorgio; Püntener, Salome; Trapp, Nils; Diederich, François","A Three-Step Synthesis of Tetrasubstituted NH-Pyrroles.","Organic letters","2016","18","9","2252","2255","10.1021/acs.orglett.6b00890","","x-ray","0.71073","MoKα","","0.0789","0.0478","","","0.1049","0.1195","","","","","","1.029","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543160","8.8","0.006","10.295","0.007","21.034","0.014","90.156","0.012","93.24","0.012","91.754","0.012","1902","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O -","- C26 H20 O -","- C104 H80 O4 -","4","2","","Luo, Lei; Zheng, Huayu; Liu, Jingjing; Wang, Hui; Wang, Yaoyu; Luan, Xinjun","Highly Chemo- and Regioselective Construction of Spirocarbocycles by a Pd(0)-Catalyzed Dearomatization of Phenol-Based Biaryls with 1,3-Dienes.","Organic letters","2016","18","9","2082","2085","10.1021/acs.orglett.6b00710","","","0.71073","MoKα","","0.1769","0.1107","","","0.298","0.3445","","","","","","0.988","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543161","8.7878","0.0005","20.2223","0.0011","29.819","0.0016","90","","90","","90","","5299.1","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O5 -","- C28 H40 O5 -","- C224 H320 O40 -","8","2","","Hu, Linzhen; Zhang, Yu; Zhu, Hucheng; Liu, Junjun; Li, Hua; Li, Xiao-Nian; Sun, Weiguang; Zeng, Junfen; Xue, Yongbo; Zhang, Yonghui","Filicinic Acid Based Meroterpenoids with Anti-Epstein-Barr Virus Activities from Hypericum japonicum.","Organic letters","2016","18","9","2272","2275","10.1021/acs.orglett.6b00906","","","1.54178","CuKα","","0.0473","0.0448","","","0.1168","0.1191","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543162","21.2968","0.0003","7.11439","0.00011","21.9163","0.0004","90","","108.646","0.0018","90","","3146.32","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C136 H104 N8 O24 S8 -","8","2","","Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong","UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides.","Organic letters","2016","18","9","2280","2283","10.1021/acs.orglett.6b00878","","x-ray","1.54184","CuKα","","0.0685","0.0501","","","0.1463","0.1612","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543163","6.8436","0.0005","10.3886","0.0006","9.9058","0.0006","90","","104.893","0.007","90","","680.6","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H10 F N O3 S -","- C16 H10 F N O3 S -","- C32 H20 F2 N2 O6 S2 -","2","1","","Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong","UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides.","Organic letters","2016","18","9","2280","2283","10.1021/acs.orglett.6b00878","","x-ray","0.71073","MoKα","","0.0671","0.05","","","0.1079","0.1216","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543164","11.5438","0.0012","13.25","0.0013","19.248","0.002","84.314","0.002","82.576","0.003","64.917","0.002","2640.9","0.5","113","2","113","2","","","","","","","","2","P -1","-P 1","2","compound 1","2,2',13,13'-tetra-tert-butyl-11,11'-bibenzo[b]perylenyl","","- C71 H66 -","- C71 H66 -","- C142 H132 -","2","1","","Uchida, Yosuke; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Matsuda, Kenji","Synthesis and Photophysical Properties of a 13,13'-Bibenzo[b]perylenyl Derivative as a π-Extended 1,1'-Binaphthyl Analog.","Organic letters","2016","18","9","2118","2121","10.1021/acs.orglett.6b00747","","","0.71075","MoKα","","0.1067","0.0738","","","0.2229","0.2649","","","","","","1.118","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543214","6.1861","0.0002","14.2021","0.0005","22.962","0.0011","90","","94.024","0.002","90","","2012.37","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C100 H84 N4 O16 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1038","0.0486","","","0.1186","0.1454","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543215","7.8917","0.0006","22.2343","0.0015","9.4685","0.0006","90","","91.94","0.002","90","","1660.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.0942","0.0471","","","0.1069","0.1274","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543216","22.7748","0.0019","6.0842","0.0005","16.1449","0.0016","90","","90","","90","","2237.1","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N O7 -","- C24 H27 N O7 -","- C96 H108 N4 O28 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1212","0.0521","","","0.1105","0.1506","","","","","","0.98","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543217","7.795","0.0005","21.513","0.0013","11.4883","0.0007","90","","95.42","0.002","90","","1917.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1213","0.0833","","","0.2412","0.2805","","","","","","1.1","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543218","7.8503","0.0014","11.0271","0.0019","17.767","0.003","75.302","0.007","81.673","0.008","89.125","0.008","1471.6","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C66 H69 N3 O15 -","3","3","","El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.","Organic letters","2016","18","10","2383","2386","10.1021/acs.orglett.6b00851","","","0.71073","MoKα","","0.1733","0.0574","","","0.1226","0.1674","","","","","","0.928","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543219","11.9275","0.0008","15.7557","0.001","18.3669","0.0012","90","","97.6486","0.0017","90","","3420.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro [3-(6-methoxy-3-(isopropylsulfonyl)quinoxalin-2-yl) propylidene]ruthenium(II)","","- C36 H44 Cl2 N4 O2 Ru -","- C36 H44 Cl2 N4 O2 Ru -","- C144 H176 Cl8 N16 O8 Ru4 -","4","1","","Williams, Michael J.; Kong, Jongrock; Chung, Cheol K.; Brunskill, Andrew; Campeau, Louis-Charles; McLaughlin, Mark","The Discovery of Quinoxaline-Based Metathesis Catalysts from Synthesis of Grazoprevir (MK-5172).","Organic letters","2016","18","9","1952","1955","10.1021/acs.orglett.6b00070","","","1.54178","CuKα","","0.0216","0.0211","","","0.0534","0.0536","","","","","","1.057","","","","has coordinates","185001","2020-10-21","18:00:00",""
"1543235","14.2222","0.0006","12.0292","0.0004","19.1416","0.0008","90","","90","","90","","3274.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","1","","Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun","Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.","Organic letters","2016","18","10","2379","2382","10.1021/acs.orglett.6b00843","","","0.71073","MoKα","","0.0731","0.045","","","0.1029","0.1184","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543236","8.9782","0.0005","18.2579","0.001","17.6665","0.001","90","","101.906","0.002","90","","2833.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F N -","- C20 H14 F N -","- C160 H112 F8 N8 -","8","2","","Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun","Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.","Organic letters","2016","18","10","2379","2382","10.1021/acs.orglett.6b00843","","","0.71073","MoKα","","0.0676","0.0556","","","0.1441","0.1534","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543237","26.374","0.003","7.9979","0.0009","15.0584","0.0018","90","","99.855","0.002","90","","3129.5","0.6","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 F3 N O3 S -","- C40 H26 F3 N O3 S -","- C160 H104 F12 N4 O12 S4 -","4","0.5","","Ge, Qingmei; Hu, Yang; Li, Bin; Wang, Baiquan","Synthesis of Conjugated Polycyclic Quinoliniums by Rhodium(III)-Catalyzed Multiple C-H Activation and Annulation of Arylpyridiniums with Alkynes.","Organic letters","2016","18","10","2483","2486","10.1021/acs.orglett.6b01055","","","0.71073","MoKα","","0.0531","0.051","","","0.1303","0.1317","","","","","","1.046","","","","has coordinates,has disorder","184959","2020-10-21","18:00:00",""
"1543260","6.6545","0.0009","7.7124","0.001","12.1476","0.0016","87.201","0.003","88.293","0.003","71.09","0.003","589.03","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O2 S2 -","- C12 H11 N O2 S2 -","- C24 H22 N2 O4 S4 -","2","1","","Shukla, Gaurav; Srivastava, Abhijeet; Singh, Maya Shankar","Metal- and Catalyst-Free, Formal [4 + 1] Annulation via Tandem C═O/C═S Functionalization: One-Pot Access to 3,5-Disubstituted/Annulated Isothiazoles.","Organic letters","2016","18","10","2451","2454","10.1021/acs.orglett.6b00997","","","0.71073","MoKα","","0.0419","0.0359","","","0.0954","0.1002","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543261","9.8714","0.0007","11.0898","0.0008","12.4017","0.0006","75.477","0.005","84.873","0.005","77.924","0.006","1284.2","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F N2 O4 S -","- C26 H21 F N2 O4 S -","- C52 H42 F2 N4 O8 S2 -","2","1","","Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng","Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.","Organic letters","2016","18","10","2435","2438","10.1021/acs.orglett.6b00964","","","0.71073","MoKα","","0.0987","0.0512","","","0.1293","0.1388","","","","","","0.868","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543262","12.8999","0.0002","8.74","0.00016","20.7336","0.0004","90","","92.1223","0.0015","90","","2336.01","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C104 H96 N8 O20 S4 -","4","1","","Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng","Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.","Organic letters","2016","18","10","2435","2438","10.1021/acs.orglett.6b00964","","","1.54184","CuKα","","0.0509","0.0401","","","0.0983","0.1065","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543263","9.8063","0.0008","11.6743","0.0008","12.6069","0.0007","117.544","0.006","101.784","0.006","99.146","0.007","1198.13","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O4 S -","- C28 H22 N2 O4 S -","- C56 H44 N4 O8 S2 -","2","1","","Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng","Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.","Organic letters","2016","18","10","2435","2438","10.1021/acs.orglett.6b00964","","","0.71073","MoKα","","0.061","0.0431","","","0.1038","0.1161","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543264","10.3056","0.0005","14.0546","0.0006","17.9127","0.0009","90","","106.449","0.005","90","","2488.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 F N2 O4 S -","- C28 H21 F N2 O4 S -","- C112 H84 F4 N8 O16 S4 -","4","1","","Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng","Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.","Organic letters","2016","18","10","2435","2438","10.1021/acs.orglett.6b00964","","","0.71073","MoKα","","0.076","0.0462","","","0.104","0.1193","","","","","","1.018","","","","has coordinates,has disorder","184960","2020-10-21","18:00:00",""
"1543269","17.9232","0.0008","12.4144","0.0005","19.2095","0.0008","90","","116.795","0.001","90","","3815.3","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 Br N O2 -","- C23 H16 Br N O2 -","- C184 H128 Br8 N8 O16 -","8","1","","Xu, Ning; Gu, Da-Wei; Zi, Jing; Wu, Xin-Yan; Guo, Xun-Xiang","Enantioselective Synthesis of 3-Alkynyl-3-hydroxyindolin-2-ones by Copper-Catalyzed Asymmetric Addition of Terminal Alkynes to Isatins.","Organic letters","2016","18","10","2439","2442","10.1021/acs.orglett.6b00971","","","1.54178","CuKα","","0.0394","0.036","","","0.1109","0.1215","","","","","","1.256","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543270","13.8715","0.0006","5.5938","0.0002","17.2693","0.001","90","","113.43","0.0014","90","","1229.51","0.1","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,10-dimethyl-5,10-dihydroindolo[3,2-b]indole",";Indoloindole;","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Ho, Hon Eong; Oniwa, Kazuaki; Yamamoto, Yoshinori; Jin, Tienan","N-Methyl Transfer Induced Copper-Mediated Oxidative Diamination of Alkynes.","Organic letters","2016","18","10","2487","2490","10.1021/acs.orglett.6b01067","","","0.71075","MoKα","","0.0754","0.0588","","","0.1768","0.1908","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543303","29.8039","0.0012","9.4923","0.0004","22.1375","0.0009","90","","120.796","0.002","90","","5379.8","0.4","100","2","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 Cl3 N3 O8 -","- C25 H18 Cl3 N3 O8 -","- C200 H144 Cl24 N24 O64 -","8","1","","Barros, Stephanie A.; Yoon, Ina; Suh, Sung-Eun; Chenoweth, David M.","Bridgehead-Substituted Triptycenes for Discovery of Nucleic Acid Junction Binders.","Organic letters","2016","18","10","2423","2426","10.1021/acs.orglett.6b00945","","","0.71073","MoKα","","0.04","0.0335","","","0.0855","0.0897","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543304","13.6534","0.0003","6.92272","0.00014","18.544","0.0004","90","","90","","90","","1752.75","0.06","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C80 H96 N16 O8 -","8","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0566","0.0524","","","0.1149","0.1174","","","","","","1.135","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543305","6.3014","","11.7426","","15.4771","","90","","100.561","","90","","1125.82","","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0477","0.0431","","","0.112","0.1148","","","","","","1.081","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543306","9.3255","0.0002","10.2652","0.0002","20.1671","0.0004","90","","90","","90","","1930.56","0.07","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C88 H108 N12 O12 -","4","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0298","0.0291","","","0.0752","0.0756","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543307","7.0381","0.0002","13.3229","0.0004","8.7353","0.0003","90","","112.215","0.008","90","","758.29","0.06","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C36 H40 N8 O4 -","4","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.1039","0.086","","","0.2235","0.231","","","","","","1.242","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543308","12.8125","0.0002","15.5638","0.0003","16.7344","0.0003","90","","110.994","0.008","90","","3115.51","0.19","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H58 Cu F6 N2 O P3 -","- C61 H58 Cu F6 N2 O P3 -","- C122 H116 Cu2 F12 N4 O2 P6 -","2","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0721","0.0621","","","0.1567","0.1649","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543309","9.11599","0.00016","13.3173","0.0002","34.5039","0.0006","90","","90","","90","","4188.79","0.12","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F N3 O3 -","- C22 H26 F N3 O3 -","- C176 H208 F8 N24 O24 -","8","2","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.051","0.041","","","0.0876","0.0938","","","","","","0.971","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543317","11.3141","0.0002","13.0066","0.0003","13.3059","0.0003","107.027","0.0007","97.7315","0.0007","113.173","0.0007","1650.25","0.06","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C24 H19 Br N2 O2 S -","- C24 H19 Br N2 O2 S -","- C72 H57 Br3 N6 O6 S3 -","3","3","","Kikuchi, Jun; Momiyama, Norie; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Diastereo- and Enantioselective Mannich-Type Reaction between Enamides and Thiazolones.","Organic letters","2016","18","11","2521","2523","10.1021/acs.orglett.6b00857","","","0.71075","MoKα","","0.0532","0.0323","","","0.0701","0.0975","","","","","","1.143","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543332","8.3536","0.001","13.8716","0.0016","21.444","0.003","90","","90","","90","","2484.9","0.5","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N O4 S -","- C29 H27 N O4 S -","- C116 H108 N4 O16 S4 -","4","1","","Zhang, Yu-Fang; Chen, Diao; Chen, Wen-Wen; Xu, Ming-Hua","Construction of Cyclic Sulfamidates Bearing Two gem-Diaryl Stereocenters through a Rhodium-Catalyzed Stepwise Asymmetric Arylation Protocol.","Organic letters","2016","18","11","2726","2729","10.1021/acs.orglett.6b01183","","","0.71073","MoKα","","0.0588","0.043","","","0.0992","0.109","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543337","5.9943","0.0009","8.2991","0.0014","20.452","0.003","90","","97.16","0.003","90","","1009.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 I N O -","- C9 H6 F2 I N O -","- C36 H24 F8 I4 N4 O4 -","4","1","","Miao, Wenjun; Ni, Chuanfa; Zhao, Yanchuan; Hu, Jinbo","Nucleophilic Iododifluoromethylation of Carbonyl Compounds Using Difluoromethyl 2-Pyridyl Sulfone.","Organic letters","2016","18","11","2766","2769","10.1021/acs.orglett.6b01258","","","0.71073","MoKα","","0.0551","0.0465","","","0.1055","0.1105","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543338","5.4774","0.0011","14.656","0.003","11.788","0.002","90","","103.09","0.03","90","","921.7","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C46 H34 Br2 O6 -","2","1","","Zhou, Yong; Zhu, Fu-Lin; Liu, Zhen-Ting; Zhou, Xiao-Mao; Hu, Xiang-Ping","Chiral Ferrocenyl P,N-Ligands for Palladium-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Esters with β-Ketoesters: Access to Functionalized Chiral 2,3-Dihydrofurans.","Organic letters","2016","18","11","2734","2737","10.1021/acs.orglett.6b01192","","","0.71073","MoKα","","0.0355","0.0336","","","0.0781","0.0793","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543339","10.678","0.002","10.701","0.002","27.346","0.006","90","","90","","90","","3124.7","1.1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Fe N3 O P -","- C35 H38 Fe N3 O P -","- C140 H152 Fe4 N12 O4 P4 -","4","1","","Zhou, Yong; Zhu, Fu-Lin; Liu, Zhen-Ting; Zhou, Xiao-Mao; Hu, Xiang-Ping","Chiral Ferrocenyl P,N-Ligands for Palladium-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Esters with β-Ketoesters: Access to Functionalized Chiral 2,3-Dihydrofurans.","Organic letters","2016","18","11","2734","2737","10.1021/acs.orglett.6b01192","","","0.71073","MoKα","","0.0524","0.0483","","","0.0965","0.0985","","","","","","1.095","","","","has coordinates","184978","2020-10-21","18:00:00",""
"1543356","5.105","0.0001","9.985","0.0002","11.8359","0.0002","65.909","0.001","85.15","0.001","82.591","0.001","545.829","0.018","173","2","173","2","","","","","","","","3","P 1","P 1","1","YA375-F1","YA375-F1","","- C29 H22 O4 -","- C29 H22 O4 -","- C29 H22 O4 -","1","1","","Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Unsymmetrical 1,2-Disubstituted Alkenes.","Organic letters","2016","18","11","2672","2675","10.1021/acs.orglett.6b01116","","","1.54186","CuKα","","0.044","0.0406","","","0.1047","0.121","","","","","","1.222","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543357","8.0454","0.0005","9.1035","0.0005","11.6624","0.0008","91.647","0.002","96.901","0.002","93.582","0.002","845.76","0.09","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 I N3 S -","- C18 H14 I N3 S -","- C36 H28 I2 N6 S2 -","2","1","","Yamamoto, Kosuke; Bruun, Theodora; Kim, Jung Yun; Zhang, Lei; Lautens, Mark","A New Multicomponent Multicatalyst Reaction (MC)(2)R: Chemoselective Cycloaddition and Latent Catalyst Activation for the Synthesis of Fully Substituted 1,2,3-Triazoles.","Organic letters","2016","18","11","2644","2647","10.1021/acs.orglett.6b00975","","","0.71073","MoKα","","0.0195","0.0153","","","0.0324","0.0335","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543359","9.3889","0.0011","11.6277","0.0014","16.0269","0.0018","90","","96.069","0.004","90","","1739.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","2","","Fernández-Pérez, Héctor; Lao, Joan R.; Vidal-Ferran, Anton","Stereoselective Rh-Catalyzed Hydrogenative Desymmetrization of Achiral Substituted 1,4-Dienes.","Organic letters","2016","18","12","2836","2839","10.1021/acs.orglett.6b01088","","","0.71073","MoKα","","0.1277","0.0903","","","0.2405","0.2703","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543360","5.87215","0.00015","17.2976","0.0004","17.9057","0.0005","90","","90","","90","","1818.76","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.039","0.0376","","","0.0946","0.0961","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543361","8.246","0.0003","6.3133","0.0003","11.1291","0.0004","90","","97.945","0.004","90","","573.81","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.0372","0.0364","","","0.1026","0.1034","","","","","","1.099","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543362","27.6917","0.0006","14.8522","0.0002","8.87923","0.00016","90","","90","","90","","3651.87","0.11","292.41","0.1","292.41","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C33 H43 N O12 -","- C33.5 H43 N O11.56 -","- C134 H172 N4 O46.24 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","x-ray","1.54184","CuKα","","0.0885","0.0861","","","0.2445","0.2485","","","","","","1.09","","","","has coordinates,has disorder","184966","2020-10-21","18:00:00",""
"1543363","27.6917","0.0006","14.8522","0.0002","8.87923","0.00016","90","","90","","90","","3651.87","0.11","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H43 N O11 -","- C31 H43 N O11 -","- C124 H172 N4 O44 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.0507","0.0487","","","0.1291","0.131","","","","","","1.088","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543364","48.523","0.01","6.2947","0.0013","20.561","0.004","90","","107.18","0.03","90","","6000","2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 O3 Si2 -","- C28 H48 O3 Si2 -","- C224 H384 O24 Si16 -","8","1","","Rullière, Pauline; Grisel, Julien; Poittevin, Clément; Cividino, Pascale; Carret, Sébastien; Poisson, Jean-François","Thermal [2 + 2]-Cycloaddition of Ketenes with Chiral Enol Ethers: Route to Densely Substituted Cyclobutanones.","Organic letters","2016","18","12","2824","2827","10.1021/acs.orglett.6b01058","","x-ray","0.71073","MoKα","","0.0742","0.0435","","","0.1004","0.1173","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543365","6.66247","0.00009","16.2362","0.0002","16.4824","0.0003","90","","90","","90","","1782.95","0.05","293.7","0.3","293.7","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Fei, Dong-Qing; Dong, Le-Le; Qi, Feng-Ming; Fan, Gai-Xia; Li, Hui-Hong; Li, Zheng-Yu; Zhang, Zhan-Xin","Euphorikanin A, a Diterpenoid Lactone with a Fused 5/6/7/3 Ring System from Euphorbia kansui.","Organic letters","2016","18","12","2844","2847","10.1021/acs.orglett.6b01093","","","1.5418","CuKα","","0.0447","0.0426","","","0.1128","0.1163","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543366","7.5805","0.0001","17.2484","0.0002","32.295","0.0004","90","","90","","90","","4222.62","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18.5 H22 Cl N O8 -","- C18.5 H22 Cl N O8 -","- C148 H176 Cl8 N8 O64 -","8","1","","Zhou, Qing-Fa; Zhang, Kui; Cai, Lingchao; Kwon, Ohyun","Phosphine-Catalyzed Intramolecular Cyclizations of α-Nitroethylallenoates Forming (Z)-Furanone Oximes.","Organic letters","2016","18","12","2954","2957","10.1021/acs.orglett.6b01299","","","1.54178","CuKα","","0.0724","0.0704","","","0.1837","0.1849","","","","","","1.051","","","","has coordinates,has disorder","184971","2020-10-21","18:00:00",""
"1543389","8.0163","0.0007","5.9409","0.00059","10.63","0.001","90","","108.56","0.0051","90","","479.91","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Gutiérrez-Jiménez, Marta I; Aydillo, Carlos; Navo, Claudio D.; Avenoza, Alberto; Corzana, Francisco; Jiménez-Osés, Gonzalo; Zurbano, María M; Busto, Jesús H; Peregrina, Jesús M","Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition.","Organic letters","2016","18","12","2796","2799","10.1021/acs.orglett.6b00840","","","0.71073","MoKα","","0.044","0.0367","","","0.0869","0.0919","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543390","10.6272","0.0008","12.262","0.001","25.592","0.002","90","","90","","90","","3334.9","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Cl4 N2 O13 S -","- C25 H36 Cl4 N2 O13 S -","- C100 H144 Cl16 N8 O52 S4 -","4","1","","Gutiérrez-Jiménez, Marta I; Aydillo, Carlos; Navo, Claudio D.; Avenoza, Alberto; Corzana, Francisco; Jiménez-Osés, Gonzalo; Zurbano, María M; Busto, Jesús H; Peregrina, Jesús M","Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition.","Organic letters","2016","18","12","2796","2799","10.1021/acs.orglett.6b00840","","x-ray","0.71073","MoKα","","0.05","0.0421","","","0.1019","0.1057","","","","","","1.09","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543395","10.019","0.003","9.396","0.002","19.802","0.005","90","0.013","112.805","0.016","90","0.012","1718.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F3 N O3 -","- C17 H20 F3 N O3 -","- C68 H80 F12 N4 O12 -","4","1","","Cheng, Cungui; Liu, Shuiyou; Lu, Danyang; Zhu, Gangguo","Copper-Catalyzed Trifluoromethylation of Alkenes with Redox-Neutral Remote Amidation of Aldehydes.","Organic letters","2016","18","12","2852","2855","10.1021/acs.orglett.6b01113","","","0.71073","MoKα","","0.1894","0.104","","","0.3276","0.3869","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543396","12.52","0.0006","11.4587","0.0005","13.5749","0.0006","90","","93.825","0.001","90","","1943.16","0.15","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 -","- C26 H21 N3 -","- C104 H84 N12 -","4","1","","Mikshiev, Vladimir Y.; Antonov, Alexander S.; Pozharskii, Alexander F.","Tandem Synthesis of 10-Dimethylaminobenzo[h]quinazolines from 2-Ketimino-1,8-bis(dimethylamino)naphthalenes via Nucleophilic Replacement of the Unactivated Aromatic NMe2 Group.","Organic letters","2016","18","12","2872","2875","10.1021/acs.orglett.6b01178","","","0.71073","MoKα","","0.0596","0.0467","","","0.1132","0.1229","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543397","20.8133","0.0011","12.4608","0.0006","16.5347","0.0008","90","","106.576","0.001","90","","4110.1","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br N3 -","- C26 H20 Br N3 -","- C208 H160 Br8 N24 -","8","1","","Mikshiev, Vladimir Y.; Antonov, Alexander S.; Pozharskii, Alexander F.","Tandem Synthesis of 10-Dimethylaminobenzo[h]quinazolines from 2-Ketimino-1,8-bis(dimethylamino)naphthalenes via Nucleophilic Replacement of the Unactivated Aromatic NMe2 Group.","Organic letters","2016","18","12","2872","2875","10.1021/acs.orglett.6b01178","","","0.71073","MoKα","","0.0397","0.0304","","","0.0779","0.0826","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543398","19.0121","0.0008","4.9106","0.0002","14.288","0.0006","90","","90","","90","","1333.94","0.1","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Senadi, Gopal Chandru; Gore, Babasaheb Sopan; Hu, Wan-Ping; Wang, Jeh-Jeng","BF3-Etherate-Promoted Cascade Reaction of 2-Alkynylanilines with Nitriles: One-Pot Assembly of 4-Amido-Cinnolines.","Organic letters","2016","18","12","2890","2893","10.1021/acs.orglett.6b01207","","x-ray","0.71073","MoKα","","0.0464","0.0341","","","0.0748","0.0816","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543399","12.0363","0.0006","17.5689","0.0009","14.3807","0.0007","90","","99.574","0.004","90","","2998.7","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","2","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.088","0.0506","","","0.1153","0.1307","","","","","","1.019","","","","has coordinates,has disorder","184949","2020-10-21","18:00:00",""
"1543400","9.7259","0.001","12.0868","0.0008","19.6834","0.0016","90","","90","","90","","2313.9","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0874","0.0476","","","0.1039","0.1183","","","","","","0.983","","","","has coordinates","184949","2020-10-21","18:00:00",""
"1543401","13.6505","0.0008","13.7482","0.0007","15.8641","0.0007","90","","90","","90","","2977.2","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0644","0.0474","","","0.1138","0.1266","","","","","","1.009","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543402","9.9913","0.0004","11.2227","0.0005","14.6382","0.0007","84.38","0.003","84.025","0.002","81.612","0.002","1609.27","0.12","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0609","0.047","","","0.1169","0.1272","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543403","10.1906","0.0011","12.049","0.0014","14.4573","0.0015","110.513","0.009","90.495","0.009","93.15","0.009","1659.4","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.1136","0.0657","","","0.142","0.1713","","","","","","1.079","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543404","10.7025","0.001","5.6536","0.0004","19.5304","0.0017","90","","96.79","0.007","90","","1173.45","0.17","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0986","0.0469","","","0.1081","0.1263","","","","","","0.975","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543405","15.415","0.002","8.1212","0.001","21.625","0.004","90","","90","","90","","2707.2","0.7","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N -","- C18 H19 N -","- C144 H152 N8 -","8","1","","Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.","Organic letters","2016","18","12","3002","3005","10.1021/acs.orglett.6b01376","","","0.71073","MoKα","","0.069","0.0449","","","0.1082","0.1202","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543406","15.4841","0.0017","20.8131","0.0019","7.9546","0.0007","90","","90","","90","","2563.5","0.4","90","0.5","90","0.5","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C17 H17 N -","- C17 H17 N -","- C136 H136 N8 -","8","1","","Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.","Organic letters","2016","18","12","3002","3005","10.1021/acs.orglett.6b01376","","","1.54184","CuKα","","0.034","0.0281","","","0.071","0.0722","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543407","15.0538","0.0006","6.7288","0.0003","16.4896","0.0007","90","","97.322","0.002","90","","1656.68","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O4 S -","- C15 H17 Br N2 O4 S -","- C60 H68 Br4 N8 O16 S4 -","4","1","","Seitz, Tobias; Fu, Peng; Haut, Franz-Lucas; Adam, Lutz; Habicht, Marija; Lentz, Dieter; MacMillan, John B.; Christmann, Mathias","One-Pot Synthesis of 5-Hydroxy-4H-1,3-thiazin-4-ones: Structure Revision, Synthesis, and NMR Shift Dependence of Thiasporine A.","Organic letters","2016","18","13","3070","3073","10.1021/acs.orglett.6b01166","","","0.71073","MoKα","","0.039","0.0352","","","0.0925","0.0951","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543408","6.2837","0.0005","19.6717","0.0016","13.8626","0.0009","90","","95.1","0.003","90","","1706.8","0.2","142","2","142","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O4 S -","- C15 H17 Br N2 O4 S -","- C60 H68 Br4 N8 O16 S4 -","4","1","","Seitz, Tobias; Fu, Peng; Haut, Franz-Lucas; Adam, Lutz; Habicht, Marija; Lentz, Dieter; MacMillan, John B.; Christmann, Mathias","One-Pot Synthesis of 5-Hydroxy-4H-1,3-thiazin-4-ones: Structure Revision, Synthesis, and NMR Shift Dependence of Thiasporine A.","Organic letters","2016","18","13","3070","3073","10.1021/acs.orglett.6b01166","","","0.71073","MoKα","","0.081","0.0525","","","0.0873","0.0957","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543409","10.222","0.0003","20.4529","0.0006","11.0286","0.0003","90","","102.19","0.002","90","","2253.76","0.11","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N6 O3 Pd -","- C24 H22 N6 O3 Pd -","- C96 H88 N24 O12 Pd4 -","4","2","","Ye, Xiaohan; Xu, Chang; Wojtas, Lukasz; Akhmedov, Novruz G.; Chen, Hao; Shi, Xiaodong","Silver-Free Palladium-Catalyzed sp(3) and sp(2) C-H Alkynylation Promoted by a 1,2,3-Triazole Amine Directing Group.","Organic letters","2016","18","12","2970","2973","10.1021/acs.orglett.6b01319","","","1.54178","CuKα","","0.0356","0.03","","","0.058","0.0597","","","","","","1.028","","","","has coordinates","184972","2020-10-21","18:00:00",""
"1543410","8.1204","0.0004","11.3745","0.0006","11.7323","0.0006","79.619","0.002","85.682","0.002","81.305","0.002","1052.38","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O7 S2 -","- C20 H20 N2 O7 S2 -","- C40 H40 N4 O14 S4 -","2","1","","Martínez, Claudio; Pérez, Edwin G; Iglesias, Álvaro; Escudero-Adán, Eduardo C; Muñiz, Kilian","Regioselective Intermolecular Diamination and Aminooxygenation of Alkenes with Saccharin.","Organic letters","2016","18","12","2998","3001","10.1021/acs.orglett.6b01368","","","0.71073","MoKα","","0.0493","0.0433","","","0.1212","0.1264","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543411","11.6132","0.0008","11.8042","0.0009","22.2493","0.0017","86.411","0.003","75.439","0.003","84.592","0.002","2936.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H34 Cl2 N6 O20 Pd3 S6 -","- C47 H34 Cl2 N6 O20 Pd3 S6 -","- C94 H68 Cl4 N12 O40 Pd6 S12 -","2","1","","Martínez, Claudio; Pérez, Edwin G; Iglesias, Álvaro; Escudero-Adán, Eduardo C; Muñiz, Kilian","Regioselective Intermolecular Diamination and Aminooxygenation of Alkenes with Saccharin.","Organic letters","2016","18","12","2998","3001","10.1021/acs.orglett.6b01368","","","0.71073","MoKα","","0.0701","0.0489","","","0.1426","0.161","","","","","","1.06","","","","has coordinates,has disorder","184973","2020-10-21","18:00:00",""
"1543437","14.501","0.002","8.8433","0.0014","17.883","0.003","90","","107.206","0.003","90","","2190.6","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H23 F4 N2 O2 S -","- C21 H23 F4 N2 O2 S -","- C84 H92 F16 N8 O8 S4 -","4","2","","Xie, Chen; Zhang, Lijun; Sha, Wanxing; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Detrifluoroacetylative in Situ Generation of Free 3-Fluoroindolin-2-one-Derived Tertiary Enolates: Design, Synthesis, and Assessment of Reactivity toward Asymmetric Mannich Reactions.","Organic letters","2016","18","13","3270","3273","10.1021/acs.orglett.6b01516","","","0.71073","MoKα","","0.0657","0.0487","","","0.1231","0.1361","","","","","","1.027","","","","has coordinates","184948","2020-10-21","18:00:00",""
"1543438","5.9339","0.0002","12.3047","0.0005","21.7128","0.0009","90","","90","","90","","1585.36","0.11","199.16","0.1","199.16","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Jiang, Xiaojian; Yang, Junjie; Zhang, Feng; Yu, Pei; Yi, Peng; Sun, Yewei; Wang, Yuqiang","Synthesis of Quaternary 3,3-Disubstituted 2-Oxindoles from 2-Substituted Indole Using Selectfluor.","Organic letters","2016","18","13","3154","3157","10.1021/acs.orglett.6b01367","","x-ray","1.54184","CuKα","","0.0371","0.0337","","","0.086","0.0893","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543496","7.7437","0.0016","24.157","0.005","14.585","0.003","90","","91.656","0.004","90","","2727.2","1","173.15","","173.15","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C58 H56 O20 -","- C58 H56 O20 -","- C116 H112 O40 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Functionalized O6-Corona[6]arenes: Synthesis, Structure, and Fullerene Complexation Property.","Organic letters","2016","18","13","3126","3129","10.1021/acs.orglett.6b01330","","","0.71073","MoKα","","0.0923","0.0793","","","0.1723","0.1833","","","","","","1.103","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543502","4.435","0.0002","5.4251","0.0003","48.735","0.003","90","","90","","90","","1172.58","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O4 -","- C12 H11 Br O4 -","- C48 H44 Br4 O16 -","4","1","","Ghosh, Arun K.; Nyalapatla, Prasanth R.","Correction to Enantioselective Total Synthesis of (+)-Amphirionin-4.","Organic letters","2016","18","14","3509","","10.1021/acs.orglett.6b01620","","","1.54178","CuKα","","0.0721","0.0676","","","0.1913","0.2008","","","","","","1.107","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543526","13.5014","0.0009","15.6835","0.0009","16.226","0.0011","90","","90","","90","","3435.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 O15 S -","- C35 H38 O15 S -","- C140 H152 O60 S4 -","4","1","","Che, Qian; Tan, Hongsheng; Han, Xiaoning; Zhang, Xiaomin; Gu, Qianqun; Zhu, Tianjiao; Li, Dehai","Naquihexcin A, a S-Bridged Pyranonaphthoquinone Dimer Bearing an Unsaturated Hexuronic Acid Moiety from a Sponge-Derived Streptomyces sp. HDN-10-293.","Organic letters","2016","18","14","3358","3361","10.1021/acs.orglett.6b01485","","","1.54184","CuKα","","0.0784","0.0613","","","0.1489","0.1646","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543527","10.7582","0.0003","15.1305","0.0005","20.2832","0.0007","90","","90","","90","","3301.64","0.18","294.59","0.1","294.59","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C160 H120 N8 O16 S8 -","8","1","","Chen, Fei; Meng, Qiang; Han, Shang-Qing; Han, Bing","tert-Butyl Hydroperoxide (TBHP)-Initiated Vicinal Sulfonamination of Alkynes: A Radical Annulation toward 3-Sulfonylindoles.","Organic letters","2016","18","14","3330","3333","10.1021/acs.orglett.6b01427","","x-ray","0.71073","MoKα","","0.0662","0.0457","","","0.109","0.124","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543570","9.3417","0.0009","19.5128","0.0015","9.2588","0.0011","90","","99.685","0.007","90","","1663.7","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 N O -","- C19 H31 N O -","- C76 H124 N4 O4 -","4","1","","Kaga, Atsushi; Tnay, Ya Lin; Chiba, Shunsuke","Synthesis of Fasicularin.","Organic letters","2016","18","14","3506","3508","10.1021/acs.orglett.6b01669","","","0.71073","MoKα","","0.0768","0.0465","","","0.1163","0.1406","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543571","7.5726","0.0019","10.186","0.003","12.215","0.003","100.996","0.008","93.41","0.008","103.373","0.007","894.5","0.4","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C40 H52 N4 O4 -","2","1","","Kaga, Atsushi; Tnay, Ya Lin; Chiba, Shunsuke","Synthesis of Fasicularin.","Organic letters","2016","18","14","3506","3508","10.1021/acs.orglett.6b01669","","","0.71073","MoKα","","0.0634","0.0458","","","0.1124","0.1268","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543572","12.2909","0.0008","12.7985","0.0011","14.5821","0.0009","90","","101.076","0.006","90","","2251.1","0.3","291.23","0.1","291.23","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F3 N O3 S -","- C22 H24 F3 N O3 S -","- C88 H96 F12 N4 O12 S4 -","4","1","","Jin, Dong-Po; Gao, Pin; Chen, Dao-Qian; Chen, Si; Wang, Jia; Liu, Xue-Yuan; Liang, Yong-Min","AgSCF3-Mediated Oxidative Trifluoromethythiolation of Alkynes with Dearomatization to Synthesize SCF3-Substituted Spiro[4,5]trienones.","Organic letters","2016","18","14","3486","3489","10.1021/acs.orglett.6b01702","","x-ray","1.54184","CuKα","","0.0899","0.0668","","","0.1976","0.226","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543598","12.939","0.001","8.252","0.0008","11.878","0.0008","90","","102.167","0.007","90","","1239.76","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F3 O S -","- C13 H11 F3 O S -","- C52 H44 F12 O4 S4 -","4","1","","Song, Xiaoning; Tian, Shuangquan; Zhao, Ziming; Zhu, Dongsheng; Wang, Mang","Controlled Ring-Opening of Siloxydifluorocyclopropanes for Carbocyclization: Synthesis of Difluorocyclopentenones.","Organic letters","2016","18","14","3414","3417","10.1021/acs.orglett.6b01567","","","0.71069","MoKα","","0.0577","0.0449","","","0.1104","0.1207","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543599","5.4375","0.0008","10.0119","0.0015","22.541","0.003","90","","94.174","0.003","90","","1223.9","0.3","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br Cl N2 O4 S2 -","- C28 H20 Br Cl N2 O4 S2 -","- C56 H40 Br2 Cl2 N4 O8 S4 -","2","0.5","","Yu, Junchao; Zhang-Negrerie, Daisy; Du, Yunfei","Cu(OAc)2-Mediated Cascade Annulation of Diarylalkyne Sulfonamides through Dual C-N Bond Formation: Synthesis of 5,10-Dihydroindolo[3,2-b]indoles.","Organic letters","2016","18","14","3322","3325","10.1021/acs.orglett.6b01343","","","0.71073","MoKα","","0.0288","0.0234","","","0.0586","0.0605","","","","","","1.059","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543628","10.091","0.0003","10.4061","0.0003","11.4027","0.0003","67.445","0.001","72.988","0.001","70.32","0.001","1022.65","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O5 S -","- C24 H22 O5 S -","- C48 H44 O10 S2 -","2","1","","Xu, Lun; Liu, Fengyi; Xu, Li-Wen; Gao, Ziwei; Zhao, Yu-Ming","A Total Synthesis of Paeoveitol.","Organic letters","2016","18","15","3698","3701","10.1021/acs.orglett.6b01736","","","0.71073","MoKα","","0.0391","0.0373","","","0.0991","0.1009","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543629","19.3064","0.0009","8.9818","0.0004","18.1833","0.0008","90","","95.154","0.002","90","","3140.3","0.2","153","","153","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","","Xu, Lun; Liu, Fengyi; Xu, Li-Wen; Gao, Ziwei; Zhao, Yu-Ming","A Total Synthesis of Paeoveitol.","Organic letters","2016","18","15","3698","3701","10.1021/acs.orglett.6b01736","","","0.71073","MoKα","","0.0598","0.0467","","","0.1186","0.1261","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543630","14.3087","0.0006","15.226","0.0008","18.5087","0.0009","90","","90","","90","","4032.4","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H42 Br N3 O6 -","- C47 H42 Br N3 O6 -","- C188 H168 Br4 N12 O24 -","4","1","","Xu, Jianfeng; Yuan, Shiru; Miao, Maozhong","N-Heterocyclic Carbene Catalyzed [4 + 2] Annulation Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes.","Organic letters","2016","18","15","3822","3825","10.1021/acs.orglett.6b01831","","","0.71073","MoKα","","0.056","0.0382","","","0.0749","0.0823","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543642","7.7825","0.0011","33.713","0.005","9.4309","0.0013","90","","108.491","0.002","90","","2346.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H26 N O6 -","- C27 H26 N O6 -","- C108 H104 N4 O24 -","4","2","","Zheng, Kai-Lu; Shu, Wen-Ming; Ma, Jun-Rui; Wu, Yan-Dong; Wu, An-Xin","Acid-Mediated N-H/α,β-C(sp(3))-H Trifunctionalization of Pyrrolidine: Intermolecular [3 + 2] Cycloaddition for the Construction of 2,3-Dihydro-1H-Pyrrolizine Derivatives.","Organic letters","2016","18","15","3526","3529","10.1021/acs.orglett.6b01369","","","0.71073","MoKα","","0.0814","0.0483","","","0.1213","0.143","","","","","","0.967","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543653","7.5537","0.0002","14.124","0.0005","18.002","0.0006","90","","90","","90","","1920.61","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Au Cl N3 O S -","- C18 H19 Au Cl N3 O S -","- C72 H76 Au4 Cl4 N12 O4 S4 -","4","1","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.0108","0.0104","","","0.024","0.0241","","","","","","1.05","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543654","10.9737","0.0004","17.4658","0.0007","19.9371","0.0007","90","","90","","90","","3821.2","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Au Cl N3 O S -","- C18 H19 Au Cl N3 O S -","- C144 H152 Au8 Cl8 N24 O8 S8 -","8","2","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.0649","0.0498","","","0.0607","0.0639","","","","","","1.085","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543655","7.2343","0.0005","11.0385","0.0007","26.4489","0.0018","90","","90","","90","","2112.1","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Au Cl N3 O2 S -","- C21 H19 Au Cl N3 O2 S -","- C84 H76 Au4 Cl4 N12 O8 S4 -","4","1","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.047","0.0305","","","0.0512","0.0549","","","","","","1.028","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543668","21.953","0.002","19.09","0.002","8.7353","0.0009","90","","108.626","0.005","90","","3469.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 B2 N2 S2 -","- C38 H42 B2 N2 S2 -","- C152 H168 B8 N8 S8 -","4","0.5","","Zhang, Wanzheng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Zhuang, Xiaodong; He, Gufeng; Feng, Xinliang","Angular BN-Heteroacenes with syn-Structure-Induced Promising Properties as Host Materials of Blue Organic Light-Emitting Diodes.","Organic letters","2016","18","15","3618","3621","10.1021/acs.orglett.6b01659","","","0.71073","MoKα","","0.0812","0.0553","","","0.1559","0.1826","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543669","28.5686","0.001","10.069","0.0004","7.7705","0.0003","90","","90","","90","","2235.24","0.15","100","2","100.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H22 B2 N2 -","- C30 H22 B2 N2 -","- C120 H88 B8 N8 -","4","0.5","","Zhang, Wanzheng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Zhuang, Xiaodong; He, Gufeng; Feng, Xinliang","Angular BN-Heteroacenes with syn-Structure-Induced Promising Properties as Host Materials of Blue Organic Light-Emitting Diodes.","Organic letters","2016","18","15","3618","3621","10.1021/acs.orglett.6b01659","","","1.54184","CuKα","","0.0589","0.0546","","","0.1486","0.1557","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543677","12.078","0.0005","10.4524","0.0005","18.2579","0.0008","90","","93.831","0.002","90","","2299.8","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl2 N3 O4 S -","- C23 H25 Cl2 N3 O4 S -","- C92 H100 Cl8 N12 O16 S4 -","4","1","","Dalvi, Prashant B.; Lin, Kuang-Ling; Kulkarni, Manohar V.; Sun, Chung-Ming","Rhodium-Catalyzed Regioselective Synthesis of Isocoumarins through Benzothiadiazine-Fused Frameworks.","Organic letters","2016","18","15","3706","3709","10.1021/acs.orglett.6b01408","","","0.71073","MoKα","","0.0369","0.031","","","0.0891","0.107","","","","","","1.139","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543678","10.4885","0.0003","12.1708","0.0004","14.9547","0.0004","90","","97.746","0.001","90","","1891.6","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl N3 O5 S -","- C19 H18 Cl N3 O5 S -","- C76 H72 Cl4 N12 O20 S4 -","4","1","","Dalvi, Prashant B.; Lin, Kuang-Ling; Kulkarni, Manohar V.; Sun, Chung-Ming","Rhodium-Catalyzed Regioselective Synthesis of Isocoumarins through Benzothiadiazine-Fused Frameworks.","Organic letters","2016","18","15","3706","3709","10.1021/acs.orglett.6b01408","","","0.71073","MoKα","","0.0372","0.0296","","","0.0887","0.1047","","","","","","1.158","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543679","10.3849","0.0004","11.4904","0.0005","12.6969","0.0005","91.474","0.002","97.59","0.002","115.976","0.002","1344.14","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N3 O5 S -","- C32 H25 N3 O5 S -","- C64 H50 N6 O10 S2 -","2","1","","Dalvi, Prashant B.; Lin, Kuang-Ling; Kulkarni, Manohar V.; Sun, Chung-Ming","Rhodium-Catalyzed Regioselective Synthesis of Isocoumarins through Benzothiadiazine-Fused Frameworks.","Organic letters","2016","18","15","3706","3709","10.1021/acs.orglett.6b01408","","","0.71073","MoKα","","0.0601","0.0417","","","0.1018","0.1134","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543680","5.2273","0.0002","23.0379","0.0011","15.5364","0.0008","90","","95.558","0.001","90","","1862.19","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl N3 O5 S -","- C19 H18 Cl N3 O5 S -","- C76 H72 Cl4 N12 O20 S4 -","4","1","","Dalvi, Prashant B.; Lin, Kuang-Ling; Kulkarni, Manohar V.; Sun, Chung-Ming","Rhodium-Catalyzed Regioselective Synthesis of Isocoumarins through Benzothiadiazine-Fused Frameworks.","Organic letters","2016","18","15","3706","3709","10.1021/acs.orglett.6b01408","","","0.71073","MoKα","","0.0697","0.0531","","","0.1469","0.1745","","","","","","1.13","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543703","14.1952","0.0006","10.5165","0.0004","22.0684","0.0009","90","","108.529","0.001","90","","3123.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","2","","Hao, Xin-Qi; Du, Cong; Zhu, Xinju; Li, Peng-Xiang; Zhang, Jia-Heng; Niu, Jun-Long; Song, Mao-Ping","Cobalt(II)-Catalyzed Decarboxylative C-H Activation/Annulation Cascades: Regioselective Access to Isoquinolones and Isoindolinones.","Organic letters","2016","18","15","3610","3613","10.1021/acs.orglett.6b01632","","","0.71073","MoKα","","0.062","0.0426","","","0.101","0.1123","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543722","12.6105","0.0009","14.074","0.001","17.2452","0.0012","90","","104.291","0.001","90","","2966","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 O6 S -","- C30 H38 N2 O6 S -","- C120 H152 N8 O24 S4 -","4","1","","Potter, Tyler J.; Ellman, Jonathan A.","Rh(III)-Catalyzed C-H Bond Addition/Amine-Mediated Cyclization of Bis-Michael Acceptors.","Organic letters","2016","18","15","3838","3841","10.1021/acs.orglett.6b01846","","","1.54178","CuKα","","0.0525","0.0444","","","0.14","0.1468","","","","","","1.095","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543735","10.5123","0.0015","6.9425","0.001","26.301","0.004","90","","98.712","0.003","90","","1897.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C104 H72 O8 -","4","1","","Zheng, Min; Wu, Feng; Chen, Kai; Zhu, Shifa","Styrene as 4π-Component in Zn(II)-Catalyzed Intermolecular Diels-Alder/Ene Tandem Reaction.","Organic letters","2016","18","15","3554","3557","10.1021/acs.orglett.6b01511","","","0.71073","MoKα","","0.069","0.044","","","0.1065","0.1179","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543749","12.1091","0.0005","8.3218","0.0004","12.7681","0.0006","90","","93.387","0.004","90","","1284.39","0.1","173","0.2","173","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0341","0.0335","","","0.0913","0.0922","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543750","10.7392","0.0003","9.6056","0.0004","12.9349","0.0004","90","","91.623","0.003","90","","1333.78","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0331","0.032","","","0.0824","0.0836","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543751","8.35689","0.00013","16.2511","0.0002","19.1684","0.0003","90","","90","","90","","2603.23","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0289","0.0283","","","0.0707","0.0711","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543765","7.1149","0.0003","26.5631","0.0011","8.515","0.0004","90","","90.955","0.003","90","","1609.06","0.12","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","2","","Suh, Sung-Eun; Chenoweth, David M.","Aryne Compatible Solvents are not Always Innocent.","Organic letters","2016","18","16","4080","4083","10.1021/acs.orglett.6b01977","","","0.71073","MoKα","","0.0748","0.0632","","","0.1647","0.1719","","","","","","1.08","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543766","8.5618","0.001","8.6657","0.0009","22.783","0.003","90","","90","","90","","1690.4","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 N2 -","- C19 H20 Cl2 N2 -","- C76 H80 Cl8 N8 -","4","1","","Suh, Sung-Eun; Chenoweth, David M.","Aryne Compatible Solvents are not Always Innocent.","Organic letters","2016","18","16","4080","4083","10.1021/acs.orglett.6b01977","","","0.71073","MoKα","","0.0769","0.0764","","","0.1911","0.1913","","","","","","1.237","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543767","13.5638","0.0004","6.3615","0.0002","20.0924","0.0007","90","","101.767","0.003","90","","1697.26","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O2 S -","- C21 H14 N2 O2 S -","- C84 H56 N8 O8 S4 -","4","1","","Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","The Acid and/or Thermal Mediated Ring Contraction of 4H-1,2,6-Thiadiazines To Afford 1,2,5-Thiadiazoles.","Organic letters","2016","18","16","4056","4059","10.1021/acs.orglett.6b01929","","","1.54184","CuKα","","0.0418","0.0335","","","0.0863","0.0916","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543768","7.9088","0.0002","13.4071","0.0004","9.205","0.0003","90","","93.738","0.003","90","","973.97","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H12 N4 O6 S -","- C21 H12 N4 O6 S -","- C42 H24 N8 O12 S2 -","2","1","","Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","The Acid and/or Thermal Mediated Ring Contraction of 4H-1,2,6-Thiadiazines To Afford 1,2,5-Thiadiazoles.","Organic letters","2016","18","16","4056","4059","10.1021/acs.orglett.6b01929","","","1.54184","CuKα","","0.0427","0.042","","","0.1065","0.1071","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543769","7.5707","0.0004","6.8326","0.0003","37.456","0.003","90","","94.606","0.006","90","","1931.3","0.2","101.7","0.3","101.7","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O5 S -","- C22 H15 N3 O5 S -","- C88 H60 N12 O20 S4 -","4","1","","Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","The Acid and/or Thermal Mediated Ring Contraction of 4H-1,2,6-Thiadiazines To Afford 1,2,5-Thiadiazoles.","Organic letters","2016","18","16","4056","4059","10.1021/acs.orglett.6b01929","","","0.71073","MoKα","","0.0459","0.0392","","","0.0994","0.1036","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543779","9.9165","0.0014","12.3529","0.0018","13.2009","0.0019","106.393","0.004","94.388","0.004","95.96","0.004","1533.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C60 H64 N8 O16 S4 -","4","2","","Seitz, Tobias; Fu, Peng; Haut, Franz-Lucas; Adam, Lutz; Habicht, Marija; Lentz, Dieter; MacMillan, John B.; Christmann, Mathias","One-Pot Synthesis of 5-Hydroxy-4H-1,3-thiazin-4-ones: Structure Revision, Synthesis, and NMR Shift Dependence of Thiasporine A.","Organic letters","2016","18","13","3070","3073","10.1021/acs.orglett.6b01166","","","1.54178","CuKα","","0.0441","0.0429","","","0.1205","0.1209","","","","","","1.229","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543780","12.441","0.004","8.216","0.002","26.04","0.007","90","","93.756","0.009","90","","2656","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-methoxy-2,3-dimethylphenyl)-1H-benzo[d]imidazole, Water","","- C16 H17 N2 O1.5 -","- C16 H17 N2 O1.5 -","- C128 H136 N16 O12 -","8","1","","Hati, Santanu; Kumar Dutta, Pratip; Dutta, Sanjay; Munshi, Parthapratim; Sen, Subhabrata","Accessing Benzimidazoles via a Ring Distortion Strategy: An Oxone Mediated Tandem Reaction of 2-Aminobenzylamines.","Organic letters","2016","18","13","3090","3093","10.1021/acs.orglett.6b01217","","","0.71073","MoKα","","0.106","0.0576","","","0.1189","0.1357","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543781","32.758","0.003","9.5956","0.0008","14.9338","0.0011","90","","116.53","0.002","90","","4199.9","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl2 N O3 -","- C23 H19 Cl2 N O3 -","- C184 H152 Cl16 N8 O24 -","8","1","","Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Nan-Nan; Li, Guigen; Jiang, Dong-Fang; Tu, Shu-Jiang; Jiang, Bo","Catalytic Oxidative Carbene Coupling of α-Diazo Carbonyls for the Synthesis of β-Amino Ketones via C(sp(3))-H Functionalization.","Organic letters","2016","18","13","3078","3081","10.1021/acs.orglett.6b01189","","","0.71073","MoKα","","0.1231","0.0492","","","0.0875","0.1053","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543782","17.951","0.004","14.649","0.004","22.079","0.005","90","","113.927","0.002","90","","5307","2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cl N5 Ni O2 P2 -","- C20 H40 Cl N5 Ni O2 P2 -","- C160 H320 Cl8 N40 Ni8 O16 P16 -","8","2","","Mastalir, Matthias; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Air-Stable Triazine-Based Ni(II) PNP Pincer Complexes As Catalysts for the Suzuki-Miyaura Cross-Coupling.","Organic letters","2016","18","13","3186","3189","10.1021/acs.orglett.6b01398","","x-ray","0.71073","MoKα","","0.0775","0.0556","","","0.0662","0.068","","","","2","2","1.81","","","","has coordinates","184872","2020-10-21","18:00:00",""
"1543783","18.1927","0.0018","14.0509","0.0014","21.446","0.002","90","","90","","90","","5482.1","0.9","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H36 Cl2 N6 Ni P2 -","- C17 H36 Cl2 N6 Ni P2 -","- C136 H288 Cl16 N48 Ni8 P16 -","8","1","","Mastalir, Matthias; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Air-Stable Triazine-Based Ni(II) PNP Pincer Complexes As Catalysts for the Suzuki-Miyaura Cross-Coupling.","Organic letters","2016","18","13","3186","3189","10.1021/acs.orglett.6b01398","","x-ray","0.71073","MoKα","","0.08","0.0533","","","0.0505","0.0536","","","","2.42","2.42","2.13","","","","has coordinates","184872","2020-10-21","18:00:00",""
"1543784","9.2794","0.0003","11.1179","0.0004","12.038","0.0004","84.916","0.003","69.397","0.003","79.875","0.003","1143.91","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F6 N2 O4 S2 -","- C20 H14 F6 N2 O4 S2 -","- C40 H28 F12 N4 O8 S4 -","2","1","","Qiu, Dachuan; He, Jia; Yue, Xiao; Shi, Jiarong; Li, Yang","Diamination of Domino Aryne Precursor with Sulfonamides.","Organic letters","2016","18","13","3130","3133","10.1021/acs.orglett.6b01334","","","0.71073","MoKα","","0.0602","0.0487","","","0.1208","0.1309","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543785","11.0215","0.0005","13.1109","0.0006","15.1972","0.0007","90","","111.193","0.002","90","","2047.5","0.16","101","2","100.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H22 O2 -","- C50 H22 O2 -","- C100 H44 O4 -","2","0.5","","Kumarasinghe, K G Upul R; Fronczek, Frank R.; Valle, Henry U.; Sygula, Andrzej","Bis-corannulenoanthracene: An Angularly Fused Pentacene as a Precursor for Barrelene-Tethered Receptors for Fullerenes.","Organic letters","2016","18","13","3054","3057","10.1021/acs.orglett.6b01049","","","1.54178","CuKα","","0.1157","0.1111","","","0.2901","0.2936","","","","","","1.054","","","","has coordinates","184874","2020-10-21","18:00:00",""
"1543786","10.889","0.0004","13.3104","0.0006","13.9583","0.0006","90","","106.526","0.002","90","","1939.5","0.14","90","0.5","90","0.5","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C61 H32 O3 -","- C61 H32 O3 -","- C122 H64 O6 -","2","0.5","","Kumarasinghe, K G Upul R; Fronczek, Frank R.; Valle, Henry U.; Sygula, Andrzej","Bis-corannulenoanthracene: An Angularly Fused Pentacene as a Precursor for Barrelene-Tethered Receptors for Fullerenes.","Organic letters","2016","18","13","3054","3057","10.1021/acs.orglett.6b01049","","","1.54184","CuKα","","0.0509","0.046","","","0.1381","0.1445","","","","","","1.043","","","","has coordinates,has disorder","184875","2020-10-21","18:00:00",""
"1543787","19.7969","0.0005","12.4055","0.0003","14.0366","0.0003","90","","122.117","0.001","90","","2919.7","0.12","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26.25 H28.5 Cl0.5 F7 N3 O S -","- C26.25 H28.5 Cl0.5 F7 N3 O S -","- C105 H114 Cl2 F28 N12 O4 S4 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0617","0.0588","","","0.1695","0.1736","","","","","","1.081","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543788","6.3738","0.0004","10.3067","0.0007","22.7482","0.0015","90","","90","","90","","1494.39","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 F N O2 -","- C16 H22 F N O2 -","- C64 H88 F4 N4 O8 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0256","0.0254","","","0.0731","0.0732","","","","","","1.136","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543789","19.631","0.0019","12.4696","0.0012","14.2862","0.0014","90","","122.586","0.0014","90","","2946.6","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H36 F6 N3 O S -","- C29 H36 F6 N3 O S -","- C116 H144 F24 N12 O4 S4 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","0.71073","MoKα","","0.0535","0.0477","","","0.1281","0.1333","","","","","","1.04","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543790","14.092","0.002","18.525","0.003","46.955","0.007","90","","90","","90","","12258","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56.5 H68.5 Cl2.5 F14 N7 O4 -","- C56.5 H68.5 Cl2.5 F14 N7 O4 -","- C452 H548 Cl20 F112 N56 O32 -","8","2","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0461","0.042","","","0.1121","0.1157","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543791","9.7657","0.0013","12.7259","0.0016","26.975","0.003","86.183","0.007","83.556","0.007","70.327","0.007","3135.3","0.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C56 H68 Cl F14 N7 O2 S2 -","- C56.0005 H68 Cl F14.0015 N7 O2 S2 -","- C112.001 H136 Cl2 F28.003 N14 O4 S4 -","2","2","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","0.71073","MoKα","","0.0861","0.069","","","0.1756","0.1886","","","","","","1.036","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543792","9.2304","0.0008","13.9651","0.0013","28.899","0.002","90","","90","","90","","3725.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 Cl4 F7 N4 O2 -","- C31 H41 Cl4 F7 N4 O2 -","- C124 H164 Cl16 F28 N16 O8 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0489","0.0408","","","0.096","0.1003","","","","","","1.032","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543793","15.14","0.0004","7.9011","0.0002","14.1502","0.0004","90","","91.3074","0.0012","90","","1692.24","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O S Se -","- C20 H14 N2 O S Se -","- C80 H56 N8 O4 S4 Se4 -","4","1","","Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and Heteroarene C-H Bonds.","Organic letters","2016","18","13","3202","3205","10.1021/acs.orglett.6b01420","","","0.71073","MoKα","","0.0345","0.0252","","","0.0566","0.0597","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543794","7.5562","0.0003","13.4128","0.0007","14.1944","0.0007","64.824","0.0016","85.1858","0.0016","88.7061","0.0017","1297.21","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 Cl2 N3 O2 Se2 -","- C27 H19 Cl2 N3 O2 Se2 -","- C54 H38 Cl4 N6 O4 Se4 -","2","1","","Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and Heteroarene C-H Bonds.","Organic letters","2016","18","13","3202","3205","10.1021/acs.orglett.6b01420","","","0.71073","MoKα","","0.0511","0.0355","","","0.0906","0.0988","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543795","14.7324","0.0005","8.1294","0.0002","15.0674","0.0005","90","","91.7272","0.0015","90","","1803.74","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O3 S Se -","- C20 H14 N2 O3 S Se -","- C80 H56 N8 O12 S4 Se4 -","4","1","","Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and Heteroarene C-H Bonds.","Organic letters","2016","18","13","3202","3205","10.1021/acs.orglett.6b01420","","","0.71073","MoKα","","0.0356","0.0263","","","0.0587","0.0624","","","","","","1.031","","","","has coordinates","184879","2020-10-21","18:00:00",""
"1543796","6.431","0.001","8.943","0.001","18.239","0.002","90","","90","","90","","1049","0.2","198","2","198","2","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0534","0.0394","","","0.0909","0.0981","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543797","6.223","0.001","7.076","0.001","28.09","0.005","90","","90","","90","","1236.9","0.3","198","2","198","2","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0543","0.0419","","","0.089","0.0943","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543798","10.523","0.001","9.378","0.001","12.89","0.001","90","","91.59","0.01","90","","1271.6","0.2","198","2","198","2","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","2","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0934","0.0549","","","0.0933","0.1044","","","","","","1.226","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543799","21.15","0.01","4.978","0.003","24.55","0.011","90","","104.86","0.03","90","","2498","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","1","","Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa","Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision.","Organic letters","2016","18","13","3178","3181","10.1021/acs.orglett.6b01395","","","0.71073","MoKα","","0.1345","0.0834","","","0.1716","0.1956","","","","","","1.07","","","","has coordinates,has disorder","184883","2020-10-21","18:00:00",""
"1543800","28.205","0.007","5.7857","0.0014","17.974","0.004","90","","91.077","0.004","90","","2932.6","1.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H38 N4 O7 -","- C30 H38 N4 O7 -","- C120 H152 N16 O28 -","4","1","","Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa","Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision.","Organic letters","2016","18","13","3178","3181","10.1021/acs.orglett.6b01395","","","0.71073","MoKα","","0.1443","0.0817","","","0.1554","0.1807","","","","","","0.958","","","","has coordinates","184885","2020-10-21","18:00:00",""
"1543801","9.0001","0.0005","9.6916","0.0008","13.9766","0.0005","90.203","0.005","105.459","0.004","116.432","0.007","1041.58","0.13","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O2 S -","- C24 H21 Br N2 O2 S -","- C48 H42 Br2 N4 O4 S2 -","2","1","","Shu, Chao; Wang, Yong-Heng; Shen, Cang-Hai; Ruan, Peng-Peng; Lu, Xin; Ye, Long-Wu","Gold-Catalyzed Intermolecular Ynamide Amination-Initiated Aza-Nazarov Cyclization: Access to Functionalized 2-Aminopyrroles.","Organic letters","2016","18","13","3254","3257","10.1021/acs.orglett.6b01503","","x-ray","1.54184","CuKα","","0.0346","0.0337","","","0.1114","0.1135","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543802","14.5589","0.0005","5.345","0.0002","18.6931","0.0008","90","","98.725","0.004","90","","1437.81","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O6 -","- C15 H13 Br O6 -","- C60 H52 Br4 O24 -","4","1","","Alamillo-Ferrer, Carla; Karabourniotis-Sotti, Marianna; Kennedy, Alan R.; Campbell, Matthew; Tomkinson, Nicholas C. O.","Alkene Dioxygenation with Malonoyl Peroxides: Synthesis of γ-Lactones, Isobenzofuranones, and Tetrahydrofurans.","Organic letters","2016","18","13","3102","3105","10.1021/acs.orglett.6b01253","","","0.71073","MoKα","","0.0466","0.0336","","","0.0684","0.0736","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543803","7.9639","0.0007","8.2187","0.0007","9.601","0.0007","92.174","0.007","109.731","0.007","92.209","0.007","590.21","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","","Alamillo-Ferrer, Carla; Karabourniotis-Sotti, Marianna; Kennedy, Alan R.; Campbell, Matthew; Tomkinson, Nicholas C. O.","Alkene Dioxygenation with Malonoyl Peroxides: Synthesis of γ-Lactones, Isobenzofuranones, and Tetrahydrofurans.","Organic letters","2016","18","13","3102","3105","10.1021/acs.orglett.6b01253","","","0.71073","MoKα","","0.0475","0.0375","","","0.0851","0.0923","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543804","10.6142","0.0006","6.9676","0.0003","21.0046","0.0011","90","","97.064","0.005","90","","1541.61","0.14","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Alamillo-Ferrer, Carla; Karabourniotis-Sotti, Marianna; Kennedy, Alan R.; Campbell, Matthew; Tomkinson, Nicholas C. O.","Alkene Dioxygenation with Malonoyl Peroxides: Synthesis of γ-Lactones, Isobenzofuranones, and Tetrahydrofurans.","Organic letters","2016","18","13","3102","3105","10.1021/acs.orglett.6b01253","","","0.71073","MoKα","","0.0691","0.0435","","","0.088","0.099","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543805","18.3425","0.0003","10.4967","0.0002","52.3489","0.0011","90","","90","","90","","10079","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H23 N O4 S -","- C30 H23 N O4 S -","- C480 H368 N16 O64 S16 -","16","4","","Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K.","Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones.","Organic letters","2016","18","13","3066","3069","10.1021/acs.orglett.6b01149","","","1.54184","CuKα","","0.0713","0.0578","","","0.1295","0.1383","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543806","11.9577","0.0013","33.256","0.003","8.9182","0.0007","90","","90","","90","","3546.5","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C184 H136 N8 O16 -","8","2","","Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K.","Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones.","Organic letters","2016","18","13","3066","3069","10.1021/acs.orglett.6b01149","","","0.71073","MoKα","","0.209","0.0908","","","0.1106","0.1372","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543807","11.911","0.004","5.8447","0.0013","12.531","0.003","90","","103.47","0.02","90","","848.4","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br O2 -","- C21 H19 Br O2 -","- C42 H38 Br2 O4 -","2","1","","Ahlin, Joachim S. E.; Cramer, Nicolai","Chiral N-Heterocyclic Carbene Ligand Enabled Nickel(0)-Catalyzed Enantioselective Three-Component Couplings as Direct Access to Silylated Indanols.","Organic letters","2016","18","13","3242","3245","10.1021/acs.orglett.6b01492","","","0.71073","MoKα","","0.0636","0.0482","","","0.1108","0.123","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543808","7.9118","0.0006","11.5272","0.001","11.8921","0.001","68.353","0.008","88.982","0.007","82.872","0.007","999.83","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl4 N O3 -","- C18 H15 Cl4 N O3 -","- C36 H30 Cl8 N2 O6 -","2","1","","Bai, Peng; Huang, Xing-Fen; Xu, Guo-Dong; Huang, Zhi-Zhen","Cascade C-H Functionalization/Amidation Reaction for Synthesis of Azepinone Derivatives.","Organic letters","2016","18","13","3058","3061","10.1021/acs.orglett.6b01140","","","0.71073","MoKα","","0.0803","0.0517","","","0.1267","0.1494","","","","","","1.024","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543809","4.4192","0.0003","33.029","0.002","27.3541","0.0019","90","","90","","90","","3992.7","0.5","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H42 O2 S8 -","- C40 H42 O2 S8 -","- C160 H168 O8 S32 -","4","0.5","","Khadem, Mohammadreza; Walsh, Joshua C.; Bodwell, Graham J.; Zhao, Yuming","A Macrocyclization of 1,8-Bis(dithiafulvenyl)pyrenes.","Organic letters","2016","18","10","2403","2406","10.1021/acs.orglett.6b00894","","","0.71075","MoKα","","0.199","0.0915","","","0.2437","0.3251","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543810","17.8024","0.0009","7.7552","0.0004","17.7401","0.0012","90","","90","","90","","2449.2","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","2","","Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie","""One-Pot"" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.","Organic letters","2016","18","10","2411","2414","10.1021/acs.orglett.6b00923","","x-ray","0.71073","MoKα","","0.0969","0.0506","","","0.0903","0.1113","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543811","7.0519","0.0003","23.5069","0.0009","7.5339","0.0003","90","","90","","90","","1248.88","0.09","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie","""One-Pot"" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.","Organic letters","2016","18","10","2411","2414","10.1021/acs.orglett.6b00923","","x-ray","1.54184","CuKα","","0.0467","0.0391","","","0.0961","0.1018","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543812","10.2608","0.0005","16.6441","0.0009","15.6634","0.0008","90","","92.089","0.004","90","","2673.2","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Cl3 N O P Pd -","- C28 H23 Cl3 N O P Pd -","- C112 H92 Cl12 N4 O4 P4 Pd4 -","4","1","","Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie","""One-Pot"" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.","Organic letters","2016","18","10","2411","2414","10.1021/acs.orglett.6b00923","","","0.71073","MoKα","","0.039","0.0292","","","0.0636","0.067","","","","","","1.029","","","","has coordinates","184895","2020-10-21","18:00:00",""
"1543813","10.116","0.002","10.554","0.002","11.501","0.002","105.31","0.03","93.11","0.03","96.37","0.03","1172.5","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H29 N2 -","- C31 H29 N2 -","- C62 H58 N4 -","2","1","","Wang, Hongkai; Wang, Chan; Huang, Kaimeng; Liu, Lingyan; Chang, Weixing; Li, Jing","Copper-Catalyzed Cascade Reaction via Intramolecular Hydroamination Cyclization of Homopropargylic Amines and Intermolecular Povarov Reaction with Imines.","Organic letters","2016","18","10","2367","2370","10.1021/acs.orglett.6b00804","","","0.71073","MoKα","","0.0637","0.0448","","","0.1318","0.1449","","","","","","1.005","","","","has coordinates","184896","2020-10-21","18:00:00",""
"1543814","8.1254","0.0007","14.0815","0.0011","10.0099","0.0008","90","","110.328","0.004","90","","1073.98","0.15","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl N O3 S -","- C23 H26 Cl N O3 S -","- C46 H52 Cl2 N2 O6 S2 -","2","1","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0953","0.0908","","","0.2392","0.2433","","","","","","1.11","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543815","12.314","0.004","16.902","0.006","19.984","0.008","90","","107.769","0.006","90","","3961","2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cl N O3 S2 -","- C19 H20 Cl N O3 S2 -","- C152 H160 Cl8 N8 O24 S16 -","8","1","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0534","0.0462","","","0.1146","0.1203","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543816","11.767","0.0003","12.4537","0.0004","15.7544","0.0004","80.281","0.001","88.759","0.001","84.902","0.001","2266.5","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cl N O3 S -","- C24 H28 Cl N O3 S -","- C96 H112 Cl4 N4 O12 S4 -","4","2","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0547","0.0414","","","0.1161","0.1349","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543817","23.544","0.002","6.96","0.0005","24.234","0.002","90","","90","","90","","3971.1","0.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H22 Br N O3 S -","- C21 H22 Br N O3 S -","- C168 H176 Br8 N8 O24 S8 -","8","2","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0795","0.0554","","","0.1228","0.1334","","","","","","0.955","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543818","11.2348","0.0005","11.3819","0.0006","14.1336","0.0006","87.511","0.004","81.82","0.004","82.982","0.004","1774.9","0.15","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 O6 Si -","- C38 H48 O6 Si -","- C76 H96 O12 Si2 -","2","1","","Zhou, Jia-Hui; Cai, Sai-Hu; Xu, Yun-He; Loh, Teck-Peng","Anomalous Reactivity and Selectivity in the Intermolecular Diels-Alder Reactions of Multisubstituted Acyclic Dienes with Geometrical Isomers of Enals.","Organic letters","2016","18","10","2355","2358","10.1021/acs.orglett.6b00783","","","0.71073","MoKα","","0.0804","0.0562","","","0.1307","0.146","","","","","","1.032","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543819","12.1373","0.0003","12.1458","0.0003","12.5058","0.0003","95.4973","0.0011","105.159","0.0011","113.259","0.0011","1593.08","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N3 O10 S -","- C30 H39 N3 O10 S -","- C60 H78 N6 O20 S2 -","2","1","","Yamaguchi, Mami; Hayashi, Minami; Hamada, Yasumasa; Nemoto, Tetsuhiro","Synthetic Study of Pactamycin: Enantioselective Construction of the Pactamycin Core with Five Contiguous Stereocenters.","Organic letters","2016","18","10","2347","2350","10.1021/acs.orglett.6b00761","","","1.54187","CuKα","","","0.0634","","","","0.1954","","","","","","1.129","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543820","30.399","0.006","12.677","0.003","14.356","0.003","90","","90","","90","","5532","2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H17 N -","- C18 H17 N -","- C288 H272 N16 -","16","1","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.0733","0.0435","","","0.1013","0.119","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543821","14.736","0.003","5.881","0.0012","14.065","0.003","90","","107.9","0.03","90","","1159.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.0772","0.0566","","","0.146","0.1649","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543822","12.08","0.002","8.276","0.0017","12.564","0.003","90","","90.03","0.03","90","","1256.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.1544","0.0714","","","0.1755","0.2253","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543823","8.3882","0.0003","14.1471","0.0004","14.5826","0.0005","84.405","0.003","81.153","0.003","84.229","0.003","1695.31","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cl N2 Rh -","- C17 H22 Cl N2 Rh -","- C68 H88 Cl4 N8 Rh4 -","4","2","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.0415","0.0302","","","0.0734","0.0803","","","","","","1.051","","","","has coordinates","184906","2020-10-21","18:00:00",""
"1543824","8.4169","0.0015","13.403","0.002","13.054","0.002","90","","107.974","0.002","90","","1400.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br I N O2 -","- C14 H9 Br I N O2 -","- C56 H36 Br4 I4 N4 O8 -","4","1","","Wu, Xia; Gao, Qinghe; Geng, Xiao; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin","Iodine-Promoted Oxidative Cross-Coupling of Unprotected Anilines with Methyl Ketones: A Site-Selective Direct C-H Bond Functionalization to C4-Dicarbonylation of Anilines.","Organic letters","2016","18","10","2507","2510","10.1021/acs.orglett.6b01162","","","0.71073","MoKα","","0.0573","0.0329","","","0.0936","0.1082","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543825","7.1942","0.0016","10.7514","0.0012","13.461","0.004","106.944","0.016","95.85","0.02","98.867","0.013","972.1","0.4","294.06","0.1","294.06","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Zhao, Gaoyuan; Xie, Xingang; Sun, Haiyu; Yuan, Ziyun; Zhong, Zhuliang; Tang, Shouchu; She, Xuegong","Bioinspired Collective Syntheses of Iboga-Type Indole Alkaloids.","Organic letters","2016","18","10","2447","2450","10.1021/acs.orglett.6b00989","","x-ray","0.71073","MoKα","","0.1707","0.0991","","","0.2898","0.3492","","","","","","0.998","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543826","8.0151","0.0006","9.9592","0.0008","10.3467","0.0008","69.516","0.004","72.945","0.004","89.454","0.004","735.66","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N O5 P -","- C14 H18 N O5 P -","- C28 H36 N2 O10 P2 -","2","1","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Carbenoid Functionalization of Benzamides: Synthesis of N-Methoxyisoquinolinediones and N-Methoxyisoquinolinones.","Organic letters","2016","18","12","2828","2831","10.1021/acs.orglett.6b01072","","","0.71073","MoKα","","0.0928","0.0517","","","0.1405","0.1651","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543827","9.2286","0.0006","12.6651","0.0009","8.3177","0.0006","90","","96.24","0.003","90","","966.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N O3 -","- C10 H8 Cl N O3 -","- C40 H32 Cl4 N4 O12 -","4","1","","Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.","Ir(III)-Catalyzed Carbenoid Functionalization of Benzamides: Synthesis of N-Methoxyisoquinolinediones and N-Methoxyisoquinolinones.","Organic letters","2016","18","12","2828","2831","10.1021/acs.orglett.6b01072","","","0.71073","MoKα","","0.0697","0.0511","","","0.1419","0.156","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543828","19.3078","0.0013","10.3786","0.0007","20.7335","0.0014","90","","90","","90","","4154.7","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C208 H176 N16 O16 -","8","2","","Zhang, Jianbo; Han, Xiuling; Lu, Xiyan","Synthesis of Indole-Substituted Indanones via Palladium(II)-Catalyzed Tandem Reaction of ortho-Electron-Deficient Alkynyl-Substituted Aryl Aldehydes with Indoles.","Organic letters","2016","18","12","2898","2901","10.1021/acs.orglett.6b01240","","","0.71073","MoKα","","0.0854","0.0425","","","0.0892","0.1065","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543829","7.2748","0.0002","12.323","0.0003","13.1676","0.0003","114.212","0.001","90.277","0.001","91.395","0.001","1076.14","0.05","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","2","","Liu, Cui-Ping; Wang, Guo-Cai; Gan, Li-She; Xu, Cheng-Hui; Liu, Qun-Fang; Ding, Jian; Yue, Jian-Min","Ciliatonoids A and B, Two Limonoids from Toona ciliata.","Organic letters","2016","18","12","2894","2897","10.1021/acs.orglett.6b01213","","","1.54178","CuKα","","0.0648","0.0628","","","0.1622","0.1693","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543830","8.959","0.002","10.483","0.002","13.867","0.003","77.615","0.003","85.443","0.003","71.589","0.003","1206.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 F3 N O2 -","- C30 H22 F3 N O2 -","- C60 H44 F6 N2 O4 -","2","1","","He, Ke-Han; Zhang, Wei-Dong; Yang, Ming-Yu; Tang, Kai-Li; Qu, Mengnan; Ding, You-Song; Li, Yang","Redox-Divergent Hydrogen-Retentive or Hydrogen-Releasing Synthesis of 3,4-Dihydroisoquinolines or Isoquinolines.","Organic letters","2016","18","12","2840","2843","10.1021/acs.orglett.6b01091","","","0.71073","MoKα","","0.0708","0.0516","","","0.135","0.1499","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543831","9.2698","0.0011","12.7098","0.0014","14.3453","0.0015","74.173","0.007","75.883","0.007","79.171","0.007","1563.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cl4 N O0 -","- C36 H24 Cl4 N -","- C72 H48 Cl8 N2 -","2","1","","He, Ke-Han; Zhang, Wei-Dong; Yang, Ming-Yu; Tang, Kai-Li; Qu, Mengnan; Ding, You-Song; Li, Yang","Redox-Divergent Hydrogen-Retentive or Hydrogen-Releasing Synthesis of 3,4-Dihydroisoquinolines or Isoquinolines.","Organic letters","2016","18","12","2840","2843","10.1021/acs.orglett.6b01091","","","0.71073","MoKα","","0.1651","0.0992","","","0.2923","0.3334","","","","","","1.061","","","","has coordinates,has disorder","184914","2020-10-21","18:00:00",""
"1543832","36.1249","0.0019","17.0168","0.0009","8.3417","0.0004","90","","93.726","0.003","90","","5117.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 O Si -","- C31 H37 O Si -","- C248 H296 O8 Si8 -","8","1","","Yadav, Priya; Das, Soumyajit; Phan, Hoa; Herng, Tun Seng; Ding, Jun; Wu, Jishan","Kinetically Blocked Stable 5,6:12,13-Dibenzozethrene: A Laterally π-Extended Zethrene with Enhanced Diradical Character.","Organic letters","2016","18","12","2886","2889","10.1021/acs.orglett.6b01196","","","1.54178","CuKα","","0.1215","0.0962","","","0.2006","0.2142","","","","","","1.072","","","","has coordinates,has disorder","184915","2020-10-21","18:00:00",""
"1543833","39.372","0.002","8.0823","0.0002","27.4716","0.0014","90","","121.374","0.007","90","","7463.7","0.8","171.8","","171.8","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 O18 -","- C39 H42 O18 -","- C312 H336 O144 -","8","1","","Xia, Danyu; Li, Yang; Jie, Kecheng; Shi, Bingbing; Yao, Yong","A Water-Soluble Cyclotriveratrylene-Based Supra-amphiphile: Synthesis, pH-Responsive Self-Assembly in Water, and Its Application in Controlled Drug Release.","Organic letters","2016","18","12","2910","2913","10.1021/acs.orglett.6b01264","","","1.54184","CuKα","","0.0617","0.0508","","","0.1304","0.1431","","","","","","1.032","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543834","20.2347","0.001","20.2347","0.001","9.6664","0.0005","90","","90","","90","","3957.8","0.3","100","2","100","2","","","","","","","","4","P 4/n c c","-P 4a 2ac","130","cis-porphyrin","21,22-Dimethyl-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin","","- C46 H14 F20 N4 -","- C46 H14 F20 N4 -","- C184 H56 F80 N16 -","4","","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.8","synchrotron","","0.0912","0.0586","","","0.1582","0.1876","","","","","","1.035","","","","has coordinates,has disorder","184917","2020-10-21","18:00:00",""
"1543835","29.637","0.007","11.513","0.002","36.067","0.007","90","","116.512","0.015","90","","11012","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H11 F15 N2 O2 -","- C31 H11 F15 N2 O2 -","- C496 H176 F240 N32 O32 -","16","4","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.1076","0.0773","","","0.2007","0.2329","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543836","6.934","0.003","11.235","0.004","19.486","0.008","90","","90","","90","","1518","1.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 F5 N2 -","- C17 H13 F5 N2 -","- C68 H52 F20 N8 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.037","0.0367","","","0.0954","0.0958","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543837","10.44","0.002","21.459","0.004","13.031","0.002","90","","107.973","0.003","90","","2776.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H11 F15 N2 O2 -","- C31 H11 F15 N2 O2 -","- C124 H44 F60 N8 O8 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.0446","0.0406","","","0.1187","0.1212","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543838","29.84","0.03","85.63","0.07","5.44","0.004","90","","90","","90","","13900","2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","5,10,15-Tris(pentafluorophenyl)-21,22-dimethylcorrole","","- C39 H15 F15 N4 -","- C39 H15 F15 N4 -","- C624 H240 F240 N64 -","16","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.78203","Synchrotron","","0.1793","0.0658","","","0.1219","0.1463","","","","","","0.736","","","","has coordinates,has disorder","184917","2020-10-21","18:00:00",""
"1543839","11.642","0.0019","30.056","0.005","11.989","0.002","90","","105.322","0.003","90","","4046","1.2","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","p-EtOcorrole","5,10,15-Tris(4-ethoxy-2,3,5,6-tetrafluorophenyl)-21,22-dimethylcorrole","","- C45.2 H30.81 F12 N4 O3.2 -","- C45.202 H30.808 F12 N4 O3.202 -","- C180.808 H123.232 F48 N16 O12.808 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.78203","Synchrotron","","0.1172","0.0668","","","0.1493","0.1973","","","","","","1.107","","","","has coordinates","184917","2020-10-21","18:00:00",""
"1543840","10.2204","0.0018","14.8005","0.0013","15.9075","0.0012","65.355","0.014","88.006","0.011","86.758","0.012","2183.4","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H17 Cl3 F20 N4 O -","- C47.5 H17 Cl3 F20 N4 O -","- C95 H34 Cl6 F40 N8 O2 -","2","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.0938","0.0811","","","0.2377","0.248","","","","","","1.007","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543841","8.184","0.0015","9.7886","0.0017","10.6117","0.0019","107.346","0.004","97.071","0.004","111.202","0.004","730.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br N2 O -","- C18 H15 Br N2 O -","- C36 H30 Br2 N4 O2 -","2","1","","Wang, He; Li, Lei; Yu, Songjie; Li, Yunyun; Li, Xingwei","Rh(III)-Catalyzed C-C/C-N Coupling of Imidates with α-Diazo Imidamide: Synthesis of Isoquinoline-Fused Indoles.","Organic letters","2016","18","12","2914","2917","10.1021/acs.orglett.6b01284","","","0.71073","MoKα","","0.0493","0.0364","","","0.0895","0.095","","","","","","0.998","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543842","19.5138","0.0006","7.8297","0.0002","25.5113","0.0008","90","","105.181","0.0015","90","","3761.77","0.19","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 N5 O2 Zn -","- C45 H45 N5 O2 Zn -","- C180 H180 N20 O8 Zn4 -","4","1","","Omori, Hiroto; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of Free-Base 10-Azacorroles.","Organic letters","2016","18","12","2978","2981","10.1021/acs.orglett.6b01323","","","0.71073","MoKα","","0.0576","0.0481","","","0.1215","0.1288","","","","","","1.038","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543843","16.4227","0.0016","20.557","0.002","12.5961","0.0012","90","","112.282","0.002","90","","3934.9","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40.84 Br0.16 Cl2 N5 Pd -","- C45 H40.839 Br0.161 Cl2 N5 Pd -","- C180 H163.356 Br0.644 Cl8 N20 Pd4 -","4","1","","Omori, Hiroto; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of Free-Base 10-Azacorroles.","Organic letters","2016","18","12","2978","2981","10.1021/acs.orglett.6b01323","","","0.71073","MoKα","","0.0887","0.0739","","","0.1692","0.1829","","","","","","1.13","","","","has coordinates,has disorder","184920","2020-10-21","18:00:00",""
"1543844","7.3051","0.001","11.626","0.0015","20.629","0.003","90","","90","","90","","1752","0.4","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O4 -","- C19 H17 Br N2 O4 -","- C76 H68 Br4 N8 O16 -","4","1","","Cayuelas, Alberto; Ortiz, Ricardo; Nájera, Carmen; Sansano, José M; Larrañaga, Olatz; de Cózar, Abel; Cossío, Fernando P","Enantioselective Synthesis of Polysubstituted Spiro-nitroprolinates Mediated by a (R,R)-Me-DuPhos·AgF-Catalyzed 1,3-Dipolar Cycloaddition.","Organic letters","2016","18","12","2926","2929","10.1021/acs.orglett.6b01273","","","0.71073","MoKα","","0.0471","0.0307","","","0.0593","0.0633","","","","","","0.94","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543852","11.829","0.002","12.023","0.002","19.877","0.004","90","","90","","90","","2826.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl O3 -","- C16 H13 Cl O3 -","- C128 H104 Cl8 O24 -","8","2","","Wen, Genfa; Su, Yingpeng; Zhang, Guoxiang; Lin, Qiqiao; Zhu, Yujin; Zhang, Qianqian; Fang, Xinqiang","Stereodivergent Synthesis of Chromanones and Flavanones via Intramolecular Benzoin Reaction.","Organic letters","2016","18","16","3980","3983","10.1021/acs.orglett.6b01767","","","0.71073","MoKα","","0.0339","0.0318","","","0.0848","0.0869","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543936","4.737","0.002","17.24","0.007","16.17","0.007","90","","96.201","0.006","90","","1312.8","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl F3 N5 -","- C11 H11 Cl F3 N5 -","- C44 H44 Cl4 F12 N20 -","4","1","","Guo, Ran; Zheng, Yan; Ma, Jun-An","Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines.","Organic letters","2016","18","17","4170","4173","10.1021/acs.orglett.6b01191","","","0.71073","MoKα","","0.1114","0.0503","","","0.1106","0.1398","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543937","8.1397","0.0007","21.9119","0.0018","12.7475","0.0011","90","","95.889","0.002","90","","2261.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 F3 N4 -","- C23 H25 F3 N4 -","- C92 H100 F12 N16 -","4","1","","Guo, Ran; Zheng, Yan; Ma, Jun-An","Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines.","Organic letters","2016","18","17","4170","4173","10.1021/acs.orglett.6b01191","","","0.71073","MoKα","","0.1053","0.0565","","","0.1344","0.1626","","","","","","1.022","","","","has coordinates,has disorder","187980","2020-10-21","18:00:00",""
"1543938","9.6443","0.0014","11.0756","0.0015","28.466","0.004","90","","94.032","0.002","90","","3033.1","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H27 F3 N6 O2 S -","- C32 H27 F3 N6 O2 S -","- C128 H108 F12 N24 O8 S4 -","4","2","","Guo, Ran; Zheng, Yan; Ma, Jun-An","Electrophilic Reaction of 2,2,2-Trifluorodiazoethane with the in Situ Generated N-Heterocyclic Carbenes: Access to N-Aminoguanidines.","Organic letters","2016","18","17","4170","4173","10.1021/acs.orglett.6b01191","","","0.71073","MoKα","","0.0608","0.0481","","","0.1234","0.1348","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543939","6.027","0.003","8.625","0.005","20.271","0.012","80.818","0.012","84.718","0.013","80.883","0.013","1024.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 F O2 -","- C23 H29 F O2 -","- C46 H58 F2 O4 -","2","1","","Dai, Wenpeng; Shi, Hongyan; Zhao, Xianghu; Cao, Song","Sterically Controlled Cu-Catalyzed or Transition-Metal-Free Cross-Coupling of gem-Difluoroalkenes with Tertiary, Secondary, and Primary Alkyl Grignard Reagents.","Organic letters","2016","18","17","4284","4287","10.1021/acs.orglett.6b02026","","","0.71073","MoKα","","0.1247","0.0904","","","0.1995","0.2227","","","","","","1.117","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543962","9.73106","0.00013","10.22183","0.00014","19.6704","0.0002","90","","90","","90","","1956.6","0.04","279.66","0.1","279.66","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N4 O6 P -","- C17 H23 N4 O6 P -","- C68 H92 N16 O24 P4 -","4","1","","Chen, Jing; Wen, Xiaojing; Wang, Yan; Du, Fei; Cai, Liu; Peng, Yungui","Asymmetric Mannich Reaction of Isatin-Based Ketimines with α-Diazomethylphosphonates Catalyzed by Chiral Silver Phosphate.","Organic letters","2016","18","17","4336","4339","10.1021/acs.orglett.6b02095","","x-ray","1.54184","CuKα","","0.0648","0.0623","","","0.158","0.1605","","","","","","1.058","","","","has coordinates,has disorder","187982","2020-10-21","18:00:00",""
"1543963","6.9955","0.0012","14.118","0.002","12.822","0.002","90","","98.536","0.007","90","","1252.3","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N S -","- C18 H11 N S -","- C72 H44 N4 S4 -","4","1","","Hagui, Wided; Besbes, Néji; Srasra, Ezzeddine; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Short Synthesis of Sulfur Analogues of Polyaromatic Hydrocarbons through Three Palladium-Catalyzed C-H Bond Arylations.","Organic letters","2016","18","17","4182","4185","10.1021/acs.orglett.6b01735","","x-ray","0.71073","MoKα","","0.1092","0.061","","","0.119","0.1372","","","","","","0.995","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543990","18.966","0.004","12.681","0.002","16.462","0.003","90","","116.614","0.003","90","","3539.7","1.1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Br N O2 -","- C19 H22 Br N O2 -","- C152 H176 Br8 N8 O16 -","8","1","","Cheng, Jie; Deng, Xia; Wang, Guoqiang; Li, Ying; Cheng, Xu; Li, Guigen","Intermolecular C-H Quaternary Alkylation of Aniline Derivatives Induced by Visible-Light Photoredox Catalysis.","Organic letters","2016","18","18","4538","4541","10.1021/acs.orglett.6b02179","","","0.71073","MoKα","","0.0683","0.045","","","0.1024","0.1106","","","","","","0.999","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543991","7.9399","0.0004","20.8101","0.0007","19.6719","0.0006","90","","90","","90","","3250.4","0.2","290.92","0.1","290.92","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C44 H28 O4 -","- C44 H28 O4 -","- C176 H112 O16 -","4","0.5","","Zhu, Hai-Tao; Ke, Sen; Zhou, Ni-Ni; Fan, Ming-Jin; Yang, De-Suo","Regioselective Intermolecular [2 + 2]-Cycloaddition of α-Iodo-Unsaturated Ketones Promoted by Diisobutylaluminum Hydride.","Organic letters","2016","18","18","4554","4557","10.1021/acs.orglett.6b02195","","","0.71073","MoKα","","0.083","0.0529","","","0.1038","0.1201","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544024","9.4679","0.001","10.2537","0.0011","10.3314","0.0012","95.058","0.007","91.227","0.008","99.386","0.006","985.05","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 O4 S -","- C20 H21 N3 O4 S -","- C40 H42 N6 O8 S2 -","2","1","","Zhang, Ziqian; Li, Yi; He, Haihong; Qian, Xuhong; Yang, Youjun","Mild Chemotriggered Generation of a Fluorophore-Tethered Diazoalkane Species via Smiles Rearrangement.","Organic letters","2016","18","18","4674","4677","10.1021/acs.orglett.6b02303","","","1.54178","CuKα","","0.0722","0.0587","","","0.166","0.1862","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544033","22.5227","0.0019","13.0043","0.0008","16.6637","0.0011","90","","105.449","0.008","90","","4704.3","0.6","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl N3 O2 -","- C27 H22 Cl N3 O2 -","- C216 H176 Cl8 N24 O16 -","8","1","","Zhou, Xiaorong; Fan, Zili; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization.","Organic letters","2016","18","18","4706","4709","10.1021/acs.orglett.6b02353","","","0.71073","MoKα","","0.0867","0.0513","","","0.1232","0.1503","","","","","","1.024","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544034","7.9757","0.0004","11.0702","0.0005","25.2461","0.0011","90","","90.966","0.004","90","","2228.73","0.18","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 Cl N4 O -","- C27 H17 Cl N4 O -","- C108 H68 Cl4 N16 O4 -","4","1","","Zhou, Xiaorong; Fan, Zili; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization.","Organic letters","2016","18","18","4706","4709","10.1021/acs.orglett.6b02353","","","0.71073","MoKα","","0.0593","0.0407","","","0.0932","0.1049","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544036","9.6012","0.0015","14.683","0.002","38.686","0.006","90","","90","","90","","5453.7","1.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N O4 -","- C34 H29 N O4 -","- C272 H232 N8 O32 -","8","2","","Han, Dandan; Chen, Jinjin; He, Qiuqin; Fan, Renhua","Dearomatization-Induced Cycloaddition and Aromatization-Triggered Rearrangement: Synthesis of Vertically Expanded Five-Ring Fused Benzofurans.","Organic letters","2016","18","18","4690","4693","10.1021/acs.orglett.6b02329","","","0.71073","MoKα","","0.102","0.0558","","","0.1271","0.149","","","","","","1.012","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544066","8.5367","0.0009","15.0339","0.0016","14.7258","0.0016","90","","90","","90","","1889.9","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Br N O4 -","- C19 H23 Br N O4 -","- C76 H92 Br4 N4 O16 -","4","1","","Zhou, Fengtao; Yamamoto, Hisashi","A Disulfonimide Catalyst for Highly Enantioselective Mukaiyama-Mannich Reaction.","Organic letters","2016","18","19","4974","4977","10.1021/acs.orglett.6b02262","","","0.71075","MoKα","","","0.0371","","","","0.0877","","","","","","1.019","","","","has coordinates","187975","2020-10-21","18:00:00",""
"1544067","12.3916","0.0007","9.7149","0.0005","13.2453","0.001","90","","94.592","0.006","90","","1589.39","0.17","300.05","0.1","300.05","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 N6 -","- C16 H20 N6 -","- C64 H80 N24 -","4","1","","Kroon, Edwin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cleavable β-Cyanoethyl Isocyanide in the Ugi Tetrazole Reaction.","Organic letters","2016","18","19","4762","4765","10.1021/acs.orglett.6b01826","","","0.7107","MoKα","","0.1844","0.0821","","","0.1803","0.2405","","","","","","0.979","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544075","15.1215","0.0012","14.5537","0.0012","17.0259","0.0008","90","","92.957","0.004","90","","3742","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0633","0.0401","","","0.0806","0.0897","","","","","","1.042","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544076","15.1192","0.0007","14.5268","0.0009","17.0178","0.001","90","","93.017","0.004","90","","3732.5","0.4","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0618","0.0403","","","0.081","0.0906","","","","","","1.025","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544077","15.007","0.001","14.3798","0.001","16.6543","0.0006","90","","92.812","0.003","90","","3589.6","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0328","0.0265","","","0.0606","0.0634","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544078","15.0917","0.0006","14.196","0.0009","17.1443","0.001","90","","94.31","0.003","90","","3662.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0458","0.0421","","","0.1076","0.11","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544079","15.092","0.0006","14.1832","0.0009","17.1387","0.001","90","","94.321","0.003","90","","3658.2","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0455","0.0423","","","0.1068","0.1088","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544080","15.1117","0.0011","14.5148","0.0012","17.011","0.0008","90","","93.032","0.004","90","","3726","0.4","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0545","0.0371","","","0.0784","0.086","","","","","","1.046","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544081","15.0934","0.0006","14.2495","0.0009","17.147","0.001","90","","94.234","0.003","90","","3677.8","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.048","0.043","","","0.1128","0.1163","","","","","","1.083","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544082","15.1103","0.0011","14.4939","0.0012","17.0017","0.0008","90","","93.063","0.004","90","","3718.2","0.4","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0532","0.0364","","","0.0796","0.0869","","","","","","1.047","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544083","15.1196","0.0007","14.5444","0.001","17.023","0.0011","90","","92.966","0.004","90","","3738.4","0.4","285","2","285","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0561","0.0379","","","0.0789","0.0869","","","","","","1.037","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544084","15.0918","0.0006","14.2146","0.0009","17.1441","0.001","90","","94.286","0.003","90","","3667.5","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0463","0.0423","","","0.1044","0.1069","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544085","15.097","0.0006","14.3013","0.0009","17.1496","0.0011","90","","94.136","0.004","90","","3693.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0513","0.0446","","","0.1185","0.1234","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544086","15.094","0.0006","14.2636","0.0009","17.1499","0.0011","90","","94.206","0.003","90","","3682.3","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0488","0.0431","","","0.1083","0.1119","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544087","15.0958","0.0006","14.2842","0.0009","17.1476","0.0011","90","","94.159","0.003","90","","3687.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0497","0.0437","","","0.1169","0.1212","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544088","15.1034","0.0006","14.3594","0.001","17.1456","0.0011","90","","94.006","0.004","90","","3709.4","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0548","0.0464","","","0.1233","0.1292","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544089","15.0995","0.0006","14.3215","0.001","17.1475","0.0011","90","","94.087","0.004","90","","3698.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0525","0.045","","","0.1197","0.1249","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544090","15.1239","0.0007","14.5665","0.001","17.0273","0.0011","90","","92.929","0.004","90","","3746.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0657","0.0421","","","0.0822","0.092","","","","","","1.032","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544091","15.1158","0.0007","14.507","0.0009","17.0102","0.0011","90","","93.051","0.004","90","","3724.8","0.4","265","2","265","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.053","0.036","","","0.0794","0.0874","","","","","","1.037","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544092","15.1104","0.0007","14.4217","0.001","17.1457","0.0012","90","","93.883","0.004","90","","3727.8","0.4","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0585","0.0468","","","0.116","0.124","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544093","15.1213","0.0007","14.5553","0.001","17.0282","0.0011","90","","92.945","0.004","90","","3742.9","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0548","0.0375","","","0.0807","0.0888","","","","","","1.029","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544094","15.1221","0.0007","14.5091","0.0011","17.1448","0.0013","90","","93.707","0.004","90","","3753.8","0.4","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0635","0.0484","","","0.1251","0.1352","","","","","","1.071","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544095","15.1005","0.0006","14.3391","0.001","17.147","0.0011","90","","94.05","0.004","90","","3703.5","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0532","0.0451","","","0.1167","0.1223","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544096","15.117","0.0007","14.4666","0.001","17.1452","0.0012","90","","93.793","0.004","90","","3741.3","0.4","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0717","0.0503","","","0.1274","0.1409","","","","","","1.018","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544097","15.1281","0.0007","14.555","0.0011","17.1464","0.0013","90","","93.621","0.004","90","","3767.9","0.4","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0635","0.0468","","","0.1132","0.1231","","","","","","1.035","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544098","15.1251","0.0008","14.5335","0.0012","17.1467","0.0015","90","","93.657","0.005","90","","3761.5","0.5","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0743","0.0501","","","0.1238","0.137","","","","","","1.033","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544099","15.092","0.0006","14.2288","0.0009","17.1508","0.001","90","","94.277","0.003","90","","3672.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0465","0.0422","","","0.1077","0.1105","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544100","15.1195","0.0007","14.4879","0.0011","17.1458","0.0013","90","","93.756","0.004","90","","3747.7","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.072","0.0571","","","0.1567","0.169","","","","","","1.054","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544101","15.13","0.0008","14.5806","0.0013","17.1485","0.0016","90","","93.558","0.005","90","","3775.7","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0809","0.0504","","","0.1164","0.1323","","","","","","1.044","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544102","15.1135","0.0007","14.4437","0.001","17.1447","0.0012","90","","93.836","0.004","90","","3734.2","0.4","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0589","0.0475","","","0.1253","0.133","","","","","","1.048","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544103","15.1082","0.0007","14.4006","0.001","17.1451","0.0012","90","","93.924","0.004","90","","3721.5","0.4","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0579","0.0477","","","0.1269","0.1341","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544104","15.1058","0.0007","14.379","0.001","17.1457","0.0012","90","","93.973","0.004","90","","3715.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0558","0.0467","","","0.1203","0.1265","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544105","15.0064","0.0008","14.3397","0.0011","16.6293","0.0013","90","","92.918","0.005","90","","3573.8","0.4","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0359","0.0286","","","0.0661","0.0697","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544106","14.9984","0.0009","14.3524","0.001","16.635","0.0006","90","","92.822","0.003","90","","3576.6","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0332","0.0277","","","0.0661","0.0689","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544107","15.0133","0.0008","14.3893","0.0011","16.6664","0.0012","90","","92.825","0.004","90","","3596.1","0.4","145","2","145","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.039","0.0306","","","0.0678","0.0715","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544108","15.0068","0.0009","14.35","0.0012","16.6364","0.0014","90","","92.859","0.005","90","","3578.1","0.5","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0386","0.0302","","","0.0702","0.0744","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544109","15.007","0.0008","14.3657","0.001","16.6511","0.0012","90","","92.856","0.004","90","","3585.3","0.4","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0374","0.0292","","","0.0659","0.0699","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544110","15.0091","0.0009","14.3725","0.0012","16.6495","0.0014","90","","92.839","0.005","90","","3587.2","0.5","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0386","0.0301","","","0.0682","0.0725","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544111","15.0119","0.0011","14.3903","0.0011","16.6678","0.0008","90","","92.793","0.004","90","","3596.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0348","0.0273","","","0.0651","0.0689","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544112","15.0171","0.0009","14.3939","0.0012","16.6705","0.0014","90","","92.807","0.005","90","","3599.1","0.5","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0427","0.0327","","","0.0727","0.0773","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544113","15.009","0.0011","14.3641","0.0011","16.6475","0.0007","90","","92.803","0.004","90","","3584.8","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0328","0.0263","","","0.0619","0.065","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544114","15.0178","0.001","14.4001","0.001","16.6809","0.0007","90","","92.794","0.004","90","","3603.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0366","0.0285","","","0.0653","0.0695","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544115","15.0534","0.0008","14.4184","0.001","16.7682","0.0012","90","","92.865","0.004","90","","3634.9","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0486","0.0358","","","0.0791","0.0854","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544116","15.08","0.0007","14.4253","0.0009","16.8673","0.0011","90","","92.994","0.003","90","","3664.2","0.4","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0472","0.0343","","","0.0749","0.0814","","","","","","1.034","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544117","15.0821","0.0011","14.4302","0.0011","16.8916","0.0007","90","","93.026","0.004","90","","3671.1","0.4","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0469","0.034","","","0.0778","0.084","","","","","","1.028","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544118","15.0294","0.0011","14.4106","0.0011","16.7098","0.0007","90","","92.796","0.004","90","","3614.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0387","0.0298","","","0.07","0.0743","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544119","15.0368","0.0009","14.4119","0.0012","16.7208","0.0014","90","","92.815","0.005","90","","3619.2","0.5","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0469","0.0348","","","0.0773","0.0832","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544120","15.0266","0.0008","14.4078","0.0011","16.6985","0.0013","90","","92.813","0.004","90","","3610.9","0.4","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0428","0.0333","","","0.0746","0.0793","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544121","15.0861","0.0011","14.4369","0.0011","16.927","0.0007","90","","93.073","0.004","90","","3681.3","0.4","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0476","0.0339","","","0.0749","0.0809","","","","","","1.044","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544122","15.0406","0.001","14.4132","0.001","16.7432","0.0007","90","","92.832","0.003","90","","3625.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0412","0.0306","","","0.0697","0.0749","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544123","15.1046","0.0011","14.4631","0.0011","16.9754","0.0008","90","","93.103","0.004","90","","3703","0.4","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0503","0.0351","","","0.0775","0.0841","","","","","","1.051","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544124","15.0984","0.0006","14.4452","0.0009","16.9444","0.001","90","","93.086","0.003","90","","3690.2","0.3","225","2","225","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0488","0.0349","","","0.075","0.0818","","","","","","1.035","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544125","15.0676","0.0007","14.4217","0.001","16.8187","0.0011","90","","92.929","0.004","90","","3649.9","0.4","195","2","195","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0512","0.0365","","","0.0779","0.0848","","","","","","1.024","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544126","15.1045","0.0007","14.4584","0.0009","16.9678","0.001","90","","93.103","0.004","90","","3700.1","0.4","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0566","0.0393","","","0.0798","0.0873","","","","","","1.043","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544127","15.1063","0.0011","14.4809","0.0011","16.9914","0.0008","90","","93.085","0.004","90","","3711.5","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0517","0.0353","","","0.0773","0.0847","","","","","","1.05","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544128","15.0902","0.0006","14.4342","0.0009","16.9112","0.001","90","","93.056","0.003","90","","3678.3","0.3","215","2","215","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0539","0.0381","","","0.0797","0.0872","","","","","","1.039","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544129","15.1127","0.0007","14.4897","0.0009","16.9969","0.001","90","","93.083","0.004","90","","3716.6","0.4","255","2","255","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0584","0.0389","","","0.0801","0.0895","","","","","","1.038","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544130","15.0573","0.001","14.42","0.001","16.7947","0.0007","90","","92.889","0.004","90","","3641.9","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0443","0.0326","","","0.0748","0.0806","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544131","15.0961","0.0011","14.4493","0.0011","16.955","0.0007","90","","93.099","0.004","90","","3693","0.4","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0496","0.035","","","0.0778","0.0847","","","","","","1.032","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544132","15.1081","0.0007","14.4721","0.0009","16.9844","0.0011","90","","93.095","0.004","90","","3708.2","0.4","245","2","245","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0511","0.0359","","","0.0766","0.0843","","","","","","1.042","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544133","15.0713","0.001","14.4223","0.0011","16.8453","0.0007","90","","92.962","0.004","90","","3656.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0453","0.0329","","","0.0744","0.0802","","","","","","1.048","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544134","15.1186","0.0012","14.5293","0.0012","17.0171","0.0008","90","","93.012","0.004","90","","3732.9","0.5","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0554","0.0373","","","0.0763","0.0843","","","","","","1.051","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544143","8.9816","0.0004","29.4224","0.0015","13.9309","0.0007","90","","90.128","0.003","90","","3681.4","0.3","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","4","","Yamamoto, Kosuke; Qureshi, Zafar; Tsoung, Jennifer; Pisella, Guillaume; Lautens, Mark","Combining Ru-Catalyzed C-H Functionalization with Pd-Catalyzed Asymmetric Allylic Alkylation: Synthesis of 3-Allyl-3-aryl Oxindole Derivatives from Aryl α-Diazoamides.","Organic letters","2016","18","19","4954","4957","10.1021/acs.orglett.6b02423","","","1.54178","CuKα","","0.0549","0.0515","","","0.1218","0.1245","","","","","","1.057","","","","has coordinates,has disorder","187976","2020-10-21","18:00:00",""
"1544163","11.97","0.006","16","0.008","8.19","0.004","90","","90","","90","","1568.5","1.3","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Ren, Zhiqiang; Hao, Yu; Hu, Xiangdong","Total Synthesis and Structural Reassignment of (±)-Cereoanhydride.","Organic letters","2016","18","19","4958","4961","10.1021/acs.orglett.6b02424","","","0.71073","MoKα","","0.0708","0.0483","","","0.1077","0.1197","","","","","","0.966","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544164","17.022","0.018","8.362","0.009","19.77","0.02","90","","95.585","0.011","90","","2801","5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 B N3 O -","- C32 H38 B N3 O -","- C128 H152 B4 N12 O4 -","4","1","","Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Regio- and Stereoselective Aminoboration of Alkenylboronates.","Organic letters","2016","18","19","4856","4859","10.1021/acs.orglett.6b02338","","","0.71075","MoKα","","0.2839","0.0858","","","0.1269","0.1941","","","","","","0.99","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544165","11.904","0.012","10.2654","0.001","23.98","0.02","90","","100.941","0.012","90","","2877","4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 N5 O -","- C32 H39 B2 N5 O -","- C128 H156 B8 N20 O4 -","4","1","","Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Regio- and Stereoselective Aminoboration of Alkenylboronates.","Organic letters","2016","18","19","4856","4859","10.1021/acs.orglett.6b02338","","","0.71075","MoKα","","0.2192","0.098","","","0.1762","0.236","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544166","10.361","0.002","25.338","0.003","11.4215","0.0017","90","","114.89","0.02","90","","2719.9","0.9","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 O3 -","- C32 H38 O3 -","- C128 H152 O12 -","4","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.1617","0.0681","","","0.1182","0.1605","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544167","13.002","0.004","10.771","0.004","13.596","0.004","90","","109.47","0.005","90","","1795.2","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N O2 -","- C22 H16 Cl N O2 -","- C88 H64 Cl4 N4 O8 -","4","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.0873","0.0459","","","0.1049","0.1262","","","","","","0.975","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544168","10.472","0.004","26.208","0.011","11.754","0.005","90","","100.641","0.008","90","","3170","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N0 O3 -","- C30 H34 O3 -","- C120 H136 O12 -","4","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.0755","0.0603","","","0.163","0.1784","","","","","","0.933","","","","has coordinates","187979","2020-10-21","18:00:00",""
"1544169","9.6348","0.0006","11.1945","0.0008","13.2323","0.0011","107.248","0.007","100.253","0.006","93.543","0.005","1331.24","0.18","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O3 -","- C31 H36 O3 -","- C62 H72 O6 -","2","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.0892","0.0537","","","0.1269","0.1515","","","","","","1.041","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544170","14.1486","0.0007","11.072","0.0006","17.2118","0.0009","90","","92.697","0.005","90","","2693.3","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl N O2 -","- C30 H34 Cl N O2 -","- C120 H136 Cl4 N4 O8 -","4","1","","Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang","Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.","Organic letters","2016","18","19","4888","4891","10.1021/acs.orglett.6b02365","","","0.71073","MoKα","","0.0791","0.0488","","","0.1066","0.1255","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544189","13.636","0.003","10.254","0.002","30.557","0.006","90","","90","","90","","4272.6","1.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H27 Br N2 O2 -","- C24 H27 Br N2 O2 -","- C192 H216 Br8 N16 O16 -","8","1","","Lu, Kui; Ma, Yantao; Gao, Meile; Liu, Yan; Li, Ming; Xu, Chuanming; Zhao, Xia; Yu, Peng","1,4-Addition Ugi Reaction Using Cyclic α,β-Unsaturated Ketone as Substrate.","Organic letters","2016","18","19","5038","5041","10.1021/acs.orglett.6b02493","","","0.71073","MoKα","","0.0729","0.057","","","0.1249","0.1326","","","","","","1.107","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544222","13.831","0.007","16.046","0.008","9.43","0.005","90","","105.784","0.008","90","","2013.9","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl N O P -","- C25 H17 Cl N O P -","- C100 H68 Cl4 N4 O4 P4 -","4","1","","Li, Chun-Xiao; Tu, De-Shuang; Yao, Rui; Yan, Hong; Lu, Chang-Sheng","Visible-Light-Induced Cascade Reaction of Isocyanides and N-Arylacrylamides with Diphenylphosphine Oxide via Radical C-P and C-C Bond Formation.","Organic letters","2016","18","19","4928","4931","10.1021/acs.orglett.6b02413","","","0.71073","MoKα","","0.0539","0.0419","","","0.1111","0.128","","","","","","1.088","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544264","9.996","0.003","10.556","0.002","11.033","0.002","69.226","0.019","73.09","0.02","65.04","0.02","973","0.4","295.37","0.1","295.37","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C42 H46 N2 O10 -","2","1","","Han, Jing-Qiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Lewis Acid and (Hypo)iodite Relay Catalysis Allows a Strategy for the Synthesis of Polysubstituted Azetidines and Tetrahydroquinolines.","Organic letters","2016","18","20","5212","","10.1021/acs.orglett.6b02430","","x-ray","0.71073","MoKα","","0.1119","0.0615","","","0.1333","0.1749","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544265","9.7358","0.0003","9.6518","0.0002","19.991","0.0005","90","","98.694","0.003","90","","1856.93","0.08","291.48","0.1","291.48","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Han, Jing-Qiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Lewis Acid and (Hypo)iodite Relay Catalysis Allows a Strategy for the Synthesis of Polysubstituted Azetidines and Tetrahydroquinolines.","Organic letters","2016","18","20","5212","","10.1021/acs.orglett.6b02430","","x-ray","1.54184","CuKα","","0.049","0.0422","","","0.1151","0.1224","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544286","10.2062","0.0006","13.2507","0.0008","13.9258","0.0008","91.429","0.002","104.805","0.002","98.033","0.002","1799.3","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","2","","Roy, Tony; Thangaraj, Manikandan; Kaicharla, Trinadh; Kamath, Rupa V.; Gonnade, Rajesh G.; Biju, Akkattu T.","The Aryne [2,3] Stevens Rearrangement.","Organic letters","2016","18","20","5428","","10.1021/acs.orglett.6b02809","","","0.71073","MoKα","","0.0684","0.0536","","","0.1215","0.1288","","","","","","1.041","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544319","7.7136","0.0004","12.8367","0.0005","26.8813","0.0011","90","","92.503","0.004","90","","2659.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 N10 O20 S4 -","- C40 H76 N10 O20 S4 -","- C80 H152 N20 O40 S8 -","2","0.5","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.1106","0.073","","","0.212","0.3003","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544320","18.5465","0.0008","16.3492","0.0007","28.7869","0.0012","90","","90","","90","","8728.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N10 O17 S4 -","- C30 H54 N10 O17 S4 -","- C240 H432 N80 O136 S32 -","8","1","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.0884","0.0551","","","0.1234","0.1428","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544321","9.572","0.0002","19.0529","0.0004","22.861","0.0005","89.387","0.002","85.105","0.002","89.819","0.002","4153.81","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H53 N2 Na2 O25.5 S4 -","- C28 H53 N2 Na2 O25.5 S4 -","- C112 H212 N8 Na8 O102 S16 -","4","2","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.0678","0.0467","","","0.1169","0.1289","","","","","","1.018","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1544322","12.658","0.0007","14.765","0.0006","19.6938","0.0011","102.257","0.004","99.362","0.005","103.809","0.004","3403.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H102 N4 O20 S4 -","- C60 H102 N4 O20 S4 -","- C120 H204 N8 O40 S8 -","2","1","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.1374","0.1206","","","0.286","0.2954","","","","","","1.211","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544323","7.6006","0.0007","10.2393","0.0007","12.7741","0.0008","96.042","0.005","101.703","0.006","91.37","0.006","967.02","0.13","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 N10 O16 S4 -","- C30 H48 N10 O16 S4 -","- C30 H48 N10 O16 S4 -","1","0.5","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.0526","0.0433","","","0.0994","0.1055","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544337","7.5729","0.0009","10.5422","0.0013","16.273","0.002","91.813","0.001","99.198","0.001","102.19","0.001","1250.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 B F2 N3 O -","- C26 H36 B F2 N3 O -","- C52 H72 B2 F4 N6 O2 -","2","1","","Li, Jin; Zhang, Qian; Yin, Jian; Yu, Changjiang; Cheng, Kai; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Metal-Free and Versatile Synthetic Routes to Natural and Synthetic Prodiginines from Boron Dipyrrin.","Organic letters","2016","18","21","5696","5699","10.1021/acs.orglett.6b02924","","","0.71073","MoKα","","0.0631","0.0432","","","0.1099","0.123","","","","","","1.004","","","","has coordinates","187969","2020-10-21","18:00:00",""
"1544338","7.1123","0.0011","13.579","0.002","13.939","0.002","90","","100.474","0.002","90","","1323.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 B Br2 F2 N2 O2 -","- C11 H9 B Br2 F2 N2 O2 -","- C44 H36 B4 Br8 F8 N8 O8 -","4","1","","Li, Jin; Zhang, Qian; Yin, Jian; Yu, Changjiang; Cheng, Kai; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Metal-Free and Versatile Synthetic Routes to Natural and Synthetic Prodiginines from Boron Dipyrrin.","Organic letters","2016","18","21","5696","5699","10.1021/acs.orglett.6b02924","","","0.71073","MoKα","","0.1073","0.0992","","","0.3571","0.3795","","","","","","1.07","","","","has coordinates","187969","2020-10-21","18:00:00",""
"1544342","8.1826","0.0009","25.666","0.003","31.715","0.004","90","","95.407","0.002","90","","6631","1.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 F10 O6 -","- C38 H26 F10 O6 -","- C304 H208 F80 O48 -","8","2","","Grigalunas, Michael; Wiest, Olaf; Helquist, Paul","Single-Flask Multicomponent Synthesis of Highly Substituted α-Pyrones via a Sequential Enolate Arylation and Alkenylation Strategy.","Organic letters","2016","18","21","5724","5727","10.1021/acs.orglett.6b02969","","","0.71073","MoKα","","0.077","0.0545","","","0.1366","0.1502","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544343","27.9493","0.0007","14.6228","0.0004","26.5088","0.0007","90","","105.098","0.001","90","","10460.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26.5 Cl2 O9.25 -","- C28 H26.5 Cl2 O9.25 -","- C448 H424 Cl32 O148 -","16","4","","Grigalunas, Michael; Wiest, Olaf; Helquist, Paul","Single-Flask Multicomponent Synthesis of Highly Substituted α-Pyrones via a Sequential Enolate Arylation and Alkenylation Strategy.","Organic letters","2016","18","21","5724","5727","10.1021/acs.orglett.6b02969","","","1.54184","CuKα","","0.0756","0.0722","","","0.1908","0.1934","","","","","","1.076","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544348","10.178","0.004","10.104","0.004","12.72","0.005","90","","108.216","0.006","90","","1242.5","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H17 N O Si -","- C11 H17 N O Si -","- C44 H68 N4 O4 Si4 -","4","2","","Liu, Pei; Tang, Jinghua; Zeng, Xiaoming","Site-Selective Silylation of Aliphatic C-H Bonds Mediated by [1,5]-Hydrogen Transfer: Synthesis of α-Sila Benzamides.","Organic letters","2016","18","21","5536","5539","10.1021/acs.orglett.6b02784","","","0.71073","MoKα","","0.1578","0.133","","","0.3229","0.353","","","","","","1.261","","","","has coordinates","187970","2020-10-21","18:00:00",""
"1544365","13.6637","0.0007","5.6795","0.0003","13.4061","0.0007","90","","96.068","0.002","90","","1034.52","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","","Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng","Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange.","Organic letters","2016","18","21","5756","5759","10.1021/acs.orglett.6b03078","","","0.71073","MoKα","","0.0415","0.0326","","","0.0829","0.0894","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544366","16.0575","0.0012","11.4137","0.0009","21.6746","0.0017","90","","90","","90","","3972.4","0.5","130","","130","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H19 I -","- C26 H19 I -","- C208 H152 I8 -","8","1","","Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng","Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange.","Organic letters","2016","18","21","5756","5759","10.1021/acs.orglett.6b03078","","","0.71073","MoKα","","0.0681","0.0572","","","0.1044","0.1093","","","","","","1.203","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544383","16.708","0.002","10.3275","0.0015","17.209","0.003","90","","110.656","0.002","90","","2778.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 N3 O2 S -","- C32 H31 N3 O2 S -","- C128 H124 N12 O8 S4 -","4","1","","Li, Lixin; Liu, Peipei; Su, Yijin; Huang, Hanmin","Palladium-Catalyzed Aminomethylamination and Aromatization of Aminoalkenes with Aminals via C-N Bond Activation.","Organic letters","2016","18","21","5736","5739","10.1021/acs.orglett.6b03001","","","0.71073","MoKα","","0.0582","0.042","","","0.0895","0.098","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544384","13.134","0.002","9.8729","0.0017","29.105","0.005","90","","93.355","0.003","90","","3767.6","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 N2 O2 S -","- C18 H17 F3 N2 O2 S -","- C144 H136 F24 N16 O16 S8 -","8","2","","Li, Lixin; Liu, Peipei; Su, Yijin; Huang, Hanmin","Palladium-Catalyzed Aminomethylamination and Aromatization of Aminoalkenes with Aminals via C-N Bond Activation.","Organic letters","2016","18","21","5736","5739","10.1021/acs.orglett.6b03001","","","0.71073","MoKα","","0.1073","0.0714","","","0.1853","0.211","","","","","","1.004","","","","has coordinates","187966","2020-10-21","18:00:00",""
"1544394","7.6465","0.0007","11.1436","0.0011","11.8808","0.0009","116.215","0.002","94.594","0.003","107.174","0.003","841.15","0.13","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Chen, Xiaoyu; Day, David Philip; Teo, Wan Teng; Chan, Philip Wai Hong","Gold- and Brønsted Acid-Catalyzed Cycloisomerization of 1,8-Diynyl Vinyl Acetates to Bicyclo[2.2.1]hept-2-en-7-ones.","Organic letters","2016","18","22","5936","","10.1021/acs.orglett.6b03049","","","0.71073","MoKα","","0.0676","0.0482","","","0.1247","0.1512","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544423","5.6649","0.0004","19.698","0.002","20.708","0.0015","90","","90","","90","","2310.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZL-04171","","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C96 H96 F8 N8 O24 -","8","2","","Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian","High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement.","Organic letters","2016","18","22","5804","","10.1021/acs.orglett.6b02706","","","1.54178","CuKα","","0.1291","0.0639","","","0.0809","0.1063","","","","","","0.941","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544424","8.5173","0.0009","5.5799","0.0006","28.549","0.003","90","","95.813","0.001","90","","1349.8","0.2","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","zl-i-04151","","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C64 H48 F4 N4 O12 -","4","2","","Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian","High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement.","Organic letters","2016","18","22","5804","","10.1021/acs.orglett.6b02706","","","0.71073","MoKα","","0.1656","0.1117","","","0.2685","0.2946","","","","","","1.095","","","","has coordinates","188912","2020-10-21","18:00:00",""
"1544476","9.7525","0.0012","12.6566","0.0016","18.224","0.002","90","","90","","90","","2249.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 Br N O2 -","- C29 H20 Br N O2 -","- C116 H80 Br4 N4 O8 -","4","1","","Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui","A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones.","Organic letters","2016","18","22","5920","5923","10.1021/acs.orglett.6b03027","","","0.71073","MoKα","","0.0633","0.0416","","","0.0871","0.0958","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544477","9.2696","0.0005","12.0477","0.0006","15.0296","0.0008","90","","90","","90","","1678.47","0.15","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui","A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones.","Organic letters","2016","18","22","5920","5923","10.1021/acs.orglett.6b03027","","","1.54178","CuKα","","0.0569","0.0493","","","0.1351","0.1432","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544508","11.0894","0.0007","11.1837","0.0009","11.8059","0.0009","63.655","0.008","83.383","0.006","68.088","0.007","1215.08","0.19","171.1","","171.1","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl N4 O2 -","- C29 H23 Cl N4 O2 -","- C58 H46 Cl2 N8 O4 -","2","1","","Zhou, Xiaorong; Fan, Zili; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang","Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization.","Organic letters","2016","18","18","4706","4709","10.1021/acs.orglett.6b02353","","","0.71073","MoKα","","0.0567","0.0395","","","0.0845","0.0946","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544521","11.118","0.002","19.642","0.003","12.625","0.002","90","","110.85","0.02","90","","2576.5","0.8","223","0.1","223","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O4 Si -","- C26 H32 N2 O4 Si -","- C104 H128 N8 O16 Si4 -","4","1","","Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P.","Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates.","Organic letters","2016","18","22","5884","5887","10.1021/acs.orglett.6b02965","","x-ray","0.71073","MoKα","","0.0934","0.0517","","","0.1126","0.1406","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544522","35.35","0.04","5.606","0.005","21.4","0.02","90","","124.417","0.012","90","","3498","6","98","","98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P.","Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates.","Organic letters","2016","18","22","5884","5887","10.1021/acs.orglett.6b02965","","","0.71075","MoKα","","0.071","0.0551","","","0.1129","0.122","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544523","11.071","0.002","13.272","0.003","18.896","0.004","78.005","0.007","87.787","0.007","84.779","0.007","2704","1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N4 O4 Si -","- C26 H32 N4 O4 Si -","- C104 H128 N16 O16 Si4 -","4","2","","Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P.","Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates.","Organic letters","2016","18","22","5884","5887","10.1021/acs.orglett.6b02965","","","0.71073","MoKα","","0.1092","0.0768","","","0.2095","0.2355","","","","","","1.011","","","","has coordinates","189950","2020-10-21","18:00:00",""
"1544524","9.3019","0.0009","20.691","0.002","10.107","0.001","90","","96.604","0.005","90","","1932.3","0.3","190","2","190.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(4-bromophenyl)-4,5-diethyl-3-(pyridin-4-yl)-4H-1,2,4-triazol-1-ium tetrafluoroborate","","- C17 H18 B Br F4 N4 -","- C17 H18 B Br F4 N4 -","- C68 H72 B4 Br4 F16 N16 -","4","1","","Joshi, Madhur S.; Pigge, F. Christopher","Construction of 1,2,4-Triazole Derivatives via Cyclocondensation of Alkylidene Dihydropyridines and Aryldiazonium Salts.","Organic letters","2016","18","22","5916","5919","10.1021/acs.orglett.6b03019","","","0.71073","MoKα","","0.0617","0.0417","","","0.1042","0.1146","","","","","","1.025","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544537","7.33","0.02","22.65","0.05","28.2","0.11","90","","101.877","0.013","90","","4582","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Gross77 (Matan)","","","- C49 H10 Au F15 I4 N4 -","- C49 H10 Au F15 I4 N4 -","- C196 H40 Au4 F60 I16 N16 -","4","1","","Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev","One-Pot Conversion of Fluorophores to Phosphorophores.","Organic letters","2016","18","22","5840","5843","10.1021/acs.orglett.6b02877","","","0.71073","MoKα","","0.1166","0.0752","","","0.1895","0.2132","","","","","","1.047","","","","has coordinates","189949","2020-10-21","18:00:00",""
"1544538","21.092","0.002","21.092","0.002","45.876","0.003","90","","90","","90","","20409","3","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","Gross82 (Sudhakar)","","","- C37.66667 H8.66667 Au Cl2 F15 N4 -","- C37.6667 H8.66667 Au Cl2 F15 N4 -","- C904 H208 Au24 Cl48 F360 N96 -","24","1.5","","Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev","One-Pot Conversion of Fluorophores to Phosphorophores.","Organic letters","2016","18","22","5840","5843","10.1021/acs.orglett.6b02877","","","0.71073","MoKα","","0.0367","0.0296","","","0.0781","0.0811","","","","","","1.065","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1544539","20.019","0.0004","13.865","0.0003","15.727","0.0006","90","","111.499","0.0011","90","","4061.5","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gross84 (Sudhakar)","","","- C38 H6 Cl2 Cu F15 I4 N4 -","- C38 H6 Cl2 Cu F15 I4 N4 -","- C152 H24 Cl8 Cu4 F60 I16 N16 -","4","1","","Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev","One-Pot Conversion of Fluorophores to Phosphorophores.","Organic letters","2016","18","22","5840","5843","10.1021/acs.orglett.6b02877","","","0.71073","MoKα","","0.0485","0.0405","","","0.1017","0.1055","","","","","","1.085","","","","has coordinates","189949","2020-10-21","18:00:00",""
"1544670","10.265","0.002","10.265","0.002","10.265","0.002","90","","90","","90","","1081.6","0.4","","","","","","","","","","","","7","F d -3 m","-F 4vw 2vw 3","227","NaCa0.80Mn0.01Sb2O5.69F0.89(OH)0.36","","romeite","- Ca0.8 F0.89 H0.36 Mn0.01 Na O6.15 Sb2 -","- Ca0.82 F0.712 Na1.1 O6.288 Sb2 -","- Ca6.56 F5.696 Na8.8 O50.304 Sb16 -","8","","","Matsubara, S.; Kato, A.; Shimizu, M.; Sekiuchi, K.; Suzuki, Y.","Romeite from the Gozaisho mine, Iwaki, Japan","Mineralogical Journal","1996","18","","155","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","188687","2020-10-21","18:00:00",""
"1544698","8.7498","0.0017","12.278","0.003","20.161","0.004","90","","100.27","0.03","90","","2131.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O4 S -","- C23 H26 N2 O4 S -","- C92 H104 N8 O16 S4 -","4","1","","Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng","Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules.","Organic letters","2016","18","24","6232","6235","10.1021/acs.orglett.6b02710","","","0.71073","MoKα","","0.0417","0.0388","","","0.1184","0.1213","","","","","","1.084","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544699","8.239","0.0002","9.8871","0.0003","10.5292","0.0003","95.163","0.002","109.34","0.002","104.536","0.002","769.2","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N2 O4 S -","- C15 H18 N2 O4 S -","- C30 H36 N4 O8 S2 -","2","1","","Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng","Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules.","Organic letters","2016","18","24","6232","6235","10.1021/acs.orglett.6b02710","","","1.54178","CuKα","","0.0373","0.0358","","","0.0961","0.0976","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544700","8.3281","0.0017","10.784","0.002","12.649","0.003","70.74","0.03","73.72","0.03","67.38","0.03","974.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C42 H44 N4 O8 S2 -","2","1","","Zheng, Jia; Li, Zun; Wu, Wanqing; Jiang, Huanfeng","Controllable O-Nucleometalation Cyclization Strategy: Access to Divergent Ring-Functionalized Molecules.","Organic letters","2016","18","24","6232","6235","10.1021/acs.orglett.6b02710","","","0.71073","MoKα","","0.0731","0.0428","","","0.1331","0.1831","","","","","","1.148","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545170","3.564","0.001","3.564","0.001","3.564","0.001","90","","90","","90","","45.27","0.02","","","298","","","","1","","","","","3","P m -3 m","-P 4 2 3","221","CaSiO3 cubic perovskite","","CaSiO3 cubic perovskite","- Ca O3 Si -","- Ca O3 Si -","- Ca O3 Si -","1","0.0208333","","Kanzaki, M.; Stebbins, J.F.; Xue, X.","Characterization of quenched high pressure phases in CaSiO3 system by XRD and 29Si NMR Note: only lattice parameter was given in this paper","Geophysical Research Letters","1991","18","","463","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","191056","2020-10-21","18:00:00",""
"1548526","13.9256","0.0019","13.8434","0.0014","35.2","0.002","90","","96.614","0.01","90","","6740.6","1.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H102 Fe2 N9 -","- C78 H102 Fe2 N9 -","- C312 H408 Fe8 N36 -","4","1","","Ming Li; W. Robert Scheidt","Structural characterization of the mu-Nitrido Complex {[Fe(OEP)]2N}","Journal of Porphyrins and Phthalocyanines","2014","18","","380","384","10.1142/S1088424614500096","","","0.71073","MoKα","","0.0954","0.0664","","","0.1656","0.1812","","","","","","1.031","","","","has coordinates","204445","2020-10-21","18:00:00",""
"1549447","26.673","0.005","5.3966","0.0011","16.522","0.003","90","","95.49","0.03","90","","2367.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DTLM","","","- C9 H11 N5 O S2 -","- C9 H11 N5 O S2 -","- C72 H88 N40 O8 S16 -","8","1","","Illán-Cabeza, Nuria A; Peña-Ruiz, Tomás; Moreno-Carretero, Miguel N","XRD and DFT-modelized structures of a pteridine-2,4(1H,3H)-dithione/N,N'-dimethylformamide H-bonded cluster (2:2). MO study of the coordination ability.","Journal of molecular modeling","2012","18","2","815","824","10.1007/s00894-011-1109-1","","","0.71073","MoKα","","0.0657","0.0461","","","0.1244","0.1465","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1550095","8.23403","0.0001","10.88902","0.00013","34.457","0.0005","90","","90","","90","","3089.43","0.07","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C176 H112 N16 O8 -","8","1","","Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C.","Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP).","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","1","140","147","10.1039/c8pp00279g","","x-ray","1.54184","CuKα","","0.0411","0.0338","","","0.0851","0.0905","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550174","9.0397","0.0008","12.5823","0.0011","12.8196","0.0011","86.214","0.002","73.428","0.002","72.357","0.002","1331.5","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 N3 O2 -","- C33 H33 N3 O2 -","- C66 H66 N6 O4 -","2","1","","Das, Dipankar; Alam, Rabiul; Katarkar, Atul; Ali, Mahammad","A differentially selective probe for trivalent chemosensor upon single excitation with cell imaging application: potential applications in combinatorial logic circuit and memory devices.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","1","242","252","10.1039/c8pp00381e","","","0.71073","MoKα","","0.0684","0.0527","","","0.1388","0.1522","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550267","17.5605","0.0014","9.4899","0.0007","9.611","0.0006","90","","90","","90","","1601.6","0.2","173","2","173","","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Br2 Cu2 N4 -","- C11 H16 Br2 Cu2 N4 -","- C44 H64 Br8 Cu8 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","","0.71073","MoKα","","0.0467","0.0385","","","0.0936","0.0979","","","","","","1.089","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550268","4.2749","0.0001","16.1161","0.0004","17.0121","0.0004","90","","90","","90","","1172.04","0.05","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H5 Cu I N -","- C4 H5 Cu I N -","- C32 H40 Cu8 I8 N8 -","8","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","x-ray","0.71073","MoKα","","0.0388","0.0319","","","0.0697","0.0764","","","","","","1.063","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550269","10.0197","0.0008","7.6791","0.0006","22.4578","0.0018","90","","101.735","0.003","90","","1691.8","0.2","297","2","297.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cu I N4 -","- C18 H14 Cu I N4 -","- C72 H56 Cu4 I4 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","","0.71073","MoKα","","0.0472","0.0367","","","0.0945","0.1007","","","","","","1.077","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550270","17.6696","0.0005","9.5533","0.0003","9.5747","0.0002","90","","90","","90","","1616.24","0.08","299","2","299.19","","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Br2 Cu2 N4 -","- C11 H16 Br2 Cu2 N4 -","- C44 H64 Br8 Cu8 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","","0.71073","MoKα","","0.0384","0.0294","","","0.0575","0.0607","","","","","","1.024","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550660","10.912","0.0017","10.9997","0.0017","11.6021","0.0018","91.68","0.008","97.459","0.008","91.733","0.008","1379.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Br1.25 Cl0.75 N2 O2 -","- C32 H26 Br1.236 Cl0.764 N2 O2 -","- C64 H52 Br2.472 Cl1.528 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.1539","0.0458","","","0.0696","0.0921","","","","","","0.922","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550661","18.9449","0.0008","9.4629","0.0004","14.4914","0.0006","90","","90","","90","","2597.93","0.19","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H26 Br0.8 Cl1.2 N2 O2 -","- C32 H26 Br0.806 Cl1.194 N2 O2 -","- C128 H104 Br3.224 Cl4.776 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.038","0.0303","","","0.0547","0.0566","","","","","","1.021","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550662","10.9822","0.0013","10.9866","0.0013","11.604","0.0013","98.151","0.003","90.796","0.003","91.779","0.004","1385.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Br0.65 Cl1.35 N2 O2 -","- C32 H26 Br0.67 Cl1.33 N2 O2 -","- C64 H52 Br1.34 Cl2.66 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.0726","0.0381","","","0.081","0.0916","","","","","","1.035","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550663","10.9647","0.0008","11.016","0.0008","11.6107","0.001","91.273","0.004","97.696","0.004","91.769","0.004","1388.64","0.19","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Br Cl N2 O2 -","- C32 H26 Br1.004 Cl0.996 N2 O2 -","- C64 H52 Br2.008 Cl1.992 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.0698","0.0353","","","0.0738","0.0848","","","","","","1.027","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550738","12.53","0.0007","13.3747","0.0007","13.8179","0.0008","62.734","0.002","68.276","0.002","76.955","0.002","1907.76","0.19","300","2","300.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H26 N13 O5 -","- C41 H26 N13 O5 -","- C82 H52 N26 O10 -","2","1","","Kumar, Girijesh; Guda, Ramu; Husain, Ahmad; Patra, Ranjan; Kirandeep, ?; Kasula, Mamatha","Synthesis and photophysical properties of pyridyl conjugated triazole appended naphthalenediimide derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1333","1341","10.1039/c9pp00003h","","","0.71073","MoKα","","0.1642","0.0845","","","0.2369","0.2692","","","","","","1.031","","","","has coordinates","225322","2020-10-21","18:00:00",""
"1550778","10.0319","0.0006","8.6937","0.0006","20.5271","0.001","90","","95.512","0.004","90","","1781.98","0.18","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-(4-fluorophenyl)-2-(phenyldiazenyl)thiazol-5-yl)pyridin-2-amine","","- C20 H14 F N5 S -","- C20 H14 F N5 S -","- C80 H56 F4 N20 S4 -","4","1","","Schehr, Miriam; Ianes, Chiara; Weisner, Jörn; Heintze, Linda; Müller, Matthias P; Pichlo, Christian; Charl, Julia; Brunstein, Elena; Ewert, Julia; Lehr, Marc; Baumann, Ulrich; Rauh, Daniel; Knippschild, Uwe; Peifer, Christian; Herges, Rainer","2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1398","1407","10.1039/c9pp00010k","","","1.54178","CuKα","","0.0615","0.0361","","","0.0811","0.0901","","","","","","0.963","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550824","8.559","0.004","24.701","0.009","17.801","0.008","90","","90","","90","","3763","3","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H19 N3 O4 -","- C22 H17.5 N3 O4 -","- C176 H140 N24 O32 -","8","4","","Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K.","A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni<sup>2+</sup> and colorimetric detection of Cu<sup>2</sup>.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1512","1525","10.1039/c9pp00114j","","","0.71073","MoKα","","0.1612","0.0788","","0.2611","0.1789","0.2595","","","","","","0.94","","","","has coordinates","225321","2020-10-21","18:00:00",""
"1550825","26.093","0.012","11.611","0.005","14.522","0.005","90","","106.229","0.014","90","","4224","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3.54 H3.69 Cu0.15 N0.46 O0.92 -","- C3.53846 H3.69231 Cu0.153846 N0.461538 O0.923077 -","- C184 H192 Cu8 N24 O48 -","52","6.5","","Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K.","A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni<sup>2+</sup> and colorimetric detection of Cu<sup>2</sup>.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1512","1525","10.1039/c9pp00114j","","","0.71073","MoKα","","0.1357","0.0773","","0.236","0.1771","0.236","","","","","","0.8427","","","","has coordinates","225321","2020-10-21","18:00:00",""
"1551917","26.758","0.009","9.137","0.002","22.861","0.006","90","","109.102","0.018","90","","5281","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","18gtu172_ET1_bas","bodipy","","- C33 H27 B F2 N2 O -","- C33 H27 B F2 N2 O -","- C264 H216 B8 F16 N16 O8 -","8","1","","Aksakal, Nuray Esra; Tanrıverdi Eçik, Esra; Kazan, Hasan Hüseyin; Yenilmez Çiftçi, Gönül; Yuksel, Fatma","Novel ruthenium(ii) and iridium(iii) BODIPY dyes: insights into their application in photodynamic therapy in vitro.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","8","2012","2022","10.1039/c9pp00201d","","","0.71073","MoKα","","0.1025","0.0668","","","0.1584","0.1824","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551918","11.1241","0.0012","20.936","0.002","14.7692","0.0019","90","","94.332","0.006","90","","3429.8","0.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 F12 N6 P2 Ru -","- C32 H22 Cl2 F12 N6 P2 Ru -","- C128 H88 Cl8 F48 N24 P8 Ru4 -","4","1","","Aksakal, Nuray Esra; Tanrıverdi Eçik, Esra; Kazan, Hasan Hüseyin; Yenilmez Çiftçi, Gönül; Yuksel, Fatma","Novel ruthenium(ii) and iridium(iii) BODIPY dyes: insights into their application in photodynamic therapy in vitro.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","8","2012","2022","10.1039/c9pp00201d","","","0.71073","MoKα","","0.1464","0.0581","","","0.1259","0.1622","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552223","7.4331","0.0002","8.9471","0.0003","26.8786","0.0009","90","","94.896","0.003","90","","1781.03","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Fik, Marta A.; Gapińska, Magdalena; Trzybiński, Damian; Woźniak, Krzysztof; Vrček, Valerije; Czerwieniec, Rafał; Kowalski, Konrad","Luminescent pyrenyl-GNA nucleosides: synthesis, photophysics and confocal microscopy studies in cancer HeLa cells.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","10","2449","2460","10.1039/c9pp00271e","","x-ray","1.54184","CuKα","","0.0643","0.0541","","","0.1445","0.1567","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1554183","33.802","0.003","7.3184","0.0009","33.855","0.005","90","","100.321","0.008","90","","8239.4","1.8","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I2 -","- C28 H20 I2 -","- C392 H280 I28 -","14","3.5","","Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Mézière, Cécile; Bastien, Guillaume; Lemouchi, Cyprien; Garcia-Garibay, Miguel A; Batail, Patrick","Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.","Nano letters","2018","18","6","3780","3784","10.1021/acs.nanolett.8b00956","","","0.71073","MoKα","","0.1012","0.0402","","","0.0664","0.0747","","","","","","0.994","","","","has coordinates","236741","2020-10-21","18:00:00",""
"1554184","10.0535","0.0008","7.3424","0.0005","16.0744","0.0015","90","","91.669","0.006","90","","1186.06","0.17","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 I2 -","- C28 H20 I2 -","- C56 H40 I4 -","2","0.5","","Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Mézière, Cécile; Bastien, Guillaume; Lemouchi, Cyprien; Garcia-Garibay, Miguel A; Batail, Patrick","Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.","Nano letters","2018","18","6","3780","3784","10.1021/acs.nanolett.8b00956","","","0.71073","MoKα","","0.0459","0.0303","","","0.0593","0.0629","","","","","","1.011","","","","has coordinates","236743","2020-10-21","18:00:00",""
"1555479","11.5512","0.0017","7.5173","0.0011","22.879","0.003","90","","91.554","0.004","90","","1985.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 Br2 N2 -","- C24 H18 Br2 N2 -","- C96 H72 Br8 N8 -","4","1","","Min, Lijun; Pan, Bin; Gu, Yanlong","Synthesis of Quinoline-Fused 1-Benzazepines through a Mannich-Type Reaction of a C,N-Bisnucleophile Generated from 2-Aminobenzaldehyde and 2-Methylindole.","Organic letters","2016","18","3","364","367","10.1021/acs.orglett.5b03287","","","0.71073","MoKα","","0.1359","0.0835","","","0.1416","0.1596","","","","","","1.139","","","","has coordinates","238760","2020-10-21","18:00:00",""
"1555484","28.26","0.017","11.505","0.008","11.128","0.008","90","","90","","90","","3618","4","293","","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N3 O3 P -","- C16 H24 N3 O3 P -","- C128 H192 N24 O24 P8 -","8","1","","Ahamad, Shakir; Kant, Ruchir; Mohanan, Kishor","Metal-Free Three-Component Domino Approach to Phosphonylated Triazolines and Triazoles.","Organic letters","2016","18","2","280","283","10.1021/acs.orglett.5b03437","","","0.71075","MoKα","","0.1783","0.0901","","","0.238","0.3076","","","","","","0.908","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555485","17.7894","0.0015","18.2676","0.0016","5.7336","0.0006","90","","90","","90","","1863.2","0.3","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H13 Cl F N3 O S -","- C22 H13 Cl F N3 O S -","- C88 H52 Cl4 F4 N12 O4 S4 -","4","1","","Fan, Wei; Li, Qun; Li, Yanrong; Sun, Hao; Jiang, Bo; Li, Guigen","I2/O2-Enabled N-S Bond Formation to Access Functionalized 1,2,3-Thiadiazoles.","Organic letters","2016","18","6","1258","1261","10.1021/acs.orglett.6b00079","","","0.71073","MoKα","","0.073","0.0442","","","0.0708","0.0776","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555486","8.4976","0.0004","11.7441","0.0005","20.5928","0.001","80.687","0.003","83.765","0.003","78.031","0.003","1977.91","0.16","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19.78 N3 O2.39 Pd -","- C25 H19.775 N3 O2.3875 Pd -","- C100 H79.1 N12 O9.55 Pd4 -","4","2","","Wiest, Johannes M.; Pöthig, Alexander; Bach, Thorsten","Pyrrole as a Directing Group: Regioselective Pd(II)-Catalyzed Alkylation and Benzylation at the Benzene Core of 2-Phenylpyrroles.","Organic letters","2016","18","4","852","855","10.1021/acs.orglett.6b00141","","x-ray","0.71073","MoKα","","0.0557","0.0351","","","0.069","0.0772","","","","","","1.021","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1555487","14.6593","0.001","7.8044","0.0006","27.406","0.002","90","","90","","90","","3135.4","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0998","0.0474","","","0.1006","0.1211","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555488","8.6142","0.0004","9.0565","0.0004","18.42","0.0008","90","","103.352","0.002","90","","1398.18","0.11","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C68 H68 N4 O4 S4 -","4","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0849","0.0627","","","0.1667","0.1796","","","","","","1.044","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555489","14.5023","0.0012","8.2306","0.0006","20.0369","0.0016","90","","98.744","0.003","90","","2363.9","0.3","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","2","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","","0.71073","MoKα","","0.123","0.1182","","","0.243","0.2451","","","","","","1.262","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555490","13.21","0.0007","7.8624","0.0004","27.4014","0.0014","90","","90","","90","","2846","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0634","0.0473","","","0.1077","0.115","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555491","9.523","0.0001","9.6405","0.0017","11.7824","0.0003","83.18","0.04","76.85","0.03","71.05","0.04","995.1","0.3","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H29 N O4 S -","- C23 H29 N O4 S -","- C46 H58 N2 O8 S2 -","2","1","","Murai, Kenichi; Matsuura, Kei; Aoyama, Hiroshi; Fujioka, Hiromichi","Oxidative Rearrangement via in Situ Generated N-Chloroamine: Synthesis of Fused Tetrahydroisoquinolines.","Organic letters","2016","18","6","1314","1317","10.1021/acs.orglett.6b00233","","x-ray","0.71073","MoKα","","0.0863","0.0555","","","0.1198","0.1397","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555492","8.6512","0.0006","13.1178","0.0007","13.2085","0.0009","94.755","0.005","97.921","0.006","102.375","0.005","1440.34","0.17","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","2","","Zhang, Lin-Bao; Zhang, Shou-Kun; Wei, Donghui; Zhu, Xinju; Hao, Xin-Qi; Su, Jian-Hang; Niu, Jun-Long; Song, Mao-Ping","Cobalt(II)-Catalyzed C-H Amination of Arenes with Simple Alkylamines.","Organic letters","2016","18","6","1318","1321","10.1021/acs.orglett.6b00241","","","1.54184","CuKα","","0.054","0.0417","","","0.1134","0.1241","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555493","6.0723","0.0012","8.6709","0.0017","14.006","0.003","75.45","0.03","78.72","0.03","70.16","0.03","666.5","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H21 N -","- C17 H21 N -","- C34 H42 N2 -","2","1","","Schweighauser, Luca; Bodoky, Ina; Kessler, Simon N.; Häussinger, Daniel; Donsbach, Carsten; Wegner, Hermann A.","Bidentate Lewis Acid Catalyzed Domino Diels-Alder Reaction of Phthalazine for the Synthesis of Bridged Oligocyclic Tetrahydronaphthalenes.","Organic letters","2016","18","6","1330","1333","10.1021/acs.orglett.6b00276","","","0.71073","MoKα","","0.0654","0.0405","","","0.0941","0.1035","","","","","","0.885","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555494","19.714","0.004","6.3466","0.0013","16.045","0.003","90","","90.8","0.03","90","","2007.3","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 N O6 -","- C19 H33 N O6 -","- C76 H132 N4 O24 -","4","1","","Schweighauser, Luca; Bodoky, Ina; Kessler, Simon N.; Häussinger, Daniel; Donsbach, Carsten; Wegner, Hermann A.","Bidentate Lewis Acid Catalyzed Domino Diels-Alder Reaction of Phthalazine for the Synthesis of Bridged Oligocyclic Tetrahydronaphthalenes.","Organic letters","2016","18","6","1330","1333","10.1021/acs.orglett.6b00276","","","0.71073","MoKα","","0.1195","0.0668","","","0.1404","0.1632","","","","","","0.953","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555495","12.8376","0.0005","12.9227","0.0006","14.0967","0.0005","90","","90","","90","","2338.59","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N3 O5.5 -","- C24 H22 Br N3 O5.5 -","- C96 H88 Br4 N12 O22 -","4","1","","Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Enantioselective Synthesis of Dihydrospiro[indoline-3,4'-pyrano[2,3-c]pyrazole] Derivatives via Michael/Hemiketalization Reaction.","Organic letters","2016","18","6","1354","1357","10.1021/acs.orglett.6b00287","","","0.71073","MoKα","","0.0902","0.0379","","","0.0952","0.1161","","","","","","1.022","","","","has coordinates,has disorder","238793","2020-10-21","18:00:00",""
"1555496","9.56524","0.00007","18.64102","0.00014","22.57118","0.00018","90","","90","","90","","4024.57","0.05","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O2 -","- C25 H22 F N O2 -","- C200 H176 F8 N8 O16 -","8","2","","Ošeka, Maksim; Kimm, Mariliis; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","Asymmetric Organocatalytic Wittig [2,3]-Rearrangement of Oxindoles.","Organic letters","2016","18","6","1358","1361","10.1021/acs.orglett.6b00291","","x-ray","1.54184","CuKα","","0.0284","0.0281","","","0.0741","0.0744","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555497","10.8203","0.0002","8.0501","0.0001","11.8593","0.0002","90","","90.3984","0.001","90","","1032.97","0.03","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl N O2 -","- C25 H22 Cl N O2 -","- C50 H44 Cl2 N2 O4 -","2","1","","Ošeka, Maksim; Kimm, Mariliis; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","Asymmetric Organocatalytic Wittig [2,3]-Rearrangement of Oxindoles.","Organic letters","2016","18","6","1358","1361","10.1021/acs.orglett.6b00291","","x-ray","0.71073","MoKα","","0.0528","0.0387","","","0.0846","0.0912","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555498","9.8983","0.0007","28.293","0.002","24.5786","0.0019","90","","96.552","0.007","90","","6838.3","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H89 B3 N6 -","- C88 H89 B3 N6 -","- C352 H356 B12 N24 -","4","1","","Qiu, Feng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Han, Sheng; Zhuang, Xiaodong; Feng, Xinliang","Triple Boron-Cored Chromophores Bearing Discotic 5,11,17-Triazatrinaphthylene-Based Ligands.","Organic letters","2016","18","6","1398","1401","10.1021/acs.orglett.6b00335","","x-ray","0.71","MoKα","","0.1608","0.084","","","0.2031","0.2903","","","","","","1.018","","","","has coordinates,has disorder","238799","2020-10-21","18:00:00",""
"1555499","16.672","0.004","6.7638","0.0015","37.518","0.008","90","","99.692","0.007","90","","4170.4","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 B3 F6 N6 -","- C45 H51 B3 F6 N6 -","- C180 H204 B12 F24 N24 -","4","1","","Qiu, Feng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Han, Sheng; Zhuang, Xiaodong; Feng, Xinliang","Triple Boron-Cored Chromophores Bearing Discotic 5,11,17-Triazatrinaphthylene-Based Ligands.","Organic letters","2016","18","6","1398","1401","10.1021/acs.orglett.6b00335","","","0.71073","MoKα","","0.1755","0.1","","","0.2669","0.3101","","","","","","1.042","","","","has coordinates,has disorder","238801","2020-10-21","18:00:00",""
"1555500","6.43415","0.00009","13.9695","0.0002","18.8234","0.0002","90","","90","","90","","1691.88","0.04","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Lin, Han; Xiao, Li-Jun; Zhou, Min-Jie; Yu, Hong-Ming; Xie, Jian-Hua; Zhou, Qi-Lin","Enantioselective Approach to (-)-Hamigeran B and (-)-4-Bromohamigeran B via Catalytic Asymmetric Hydrogenation of Racemic Ketone To Assemble the Chiral Core Framework.","Organic letters","2016","18","6","1434","1437","10.1021/acs.orglett.6b00369","","x-ray","1.54184","CuKα","","0.0322","0.0321","","","0.0848","0.085","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555501","13.364","0.004","7.917","0.003","21.513","0.006","90","","127.54","0.018","90","","1804.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","More, Atul A.; Ramana, Chepuri V.","Total Synthesis of Integrastatin B Enabled by a Benzofuran Oxidative Dearomatization Cascade.","Organic letters","2016","18","6","1458","1461","10.1021/acs.orglett.6b00404","","","0.71073","MoKα","","0.1387","0.094","","","0.1863","0.2077","","","","","","1.11","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555502","11.9383","0.0008","10.2634","0.0006","15.2907","0.0009","90","","97.621","0.003","90","","1857","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","More, Atul A.; Ramana, Chepuri V.","Total Synthesis of Integrastatin B Enabled by a Benzofuran Oxidative Dearomatization Cascade.","Organic letters","2016","18","6","1458","1461","10.1021/acs.orglett.6b00404","","","0.71073","MoKα","","0.0377","0.0348","","","0.0935","0.0965","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555503","7.2646","0.0007","8.0955","0.0008","8.184","0.0009","90.831","0.006","97.639","0.006","93.425","0.006","476.06","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","More, Atul A.; Ramana, Chepuri V.","Total Synthesis of Integrastatin B Enabled by a Benzofuran Oxidative Dearomatization Cascade.","Organic letters","2016","18","6","1458","1461","10.1021/acs.orglett.6b00404","","","0.71073","MoKα","","0.0409","0.0373","","","0.1039","0.1078","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555504","25.162","0.005","15.406","0.003","16.174","0.004","90","","109.269","0.003","90","","5919","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H37 Cl N2 O6 -","- C33 H37 Cl N2 O6 -","- C264 H296 Cl8 N16 O48 -","8","1","","Di Maso, Michael J.; Nepomuceno, Gabriella M.; St Peter, Michael A.; Gitre, Haley H.; Martin, Kevin S.; Shaw, Jared T.","Synthesis of (±)-Bisavenanthramide B-6 by an Anionic Anhydride Mannich Reaction.","Organic letters","2016","18","8","1740","1743","10.1021/acs.orglett.6b00413","","","0.71073","MoKα","","0.0371","0.035","","","0.0932","0.0953","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555505","18.0825","0.0003","18.5554","0.0003","56.7015","0.001","90","","90","","90","","19024.9","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C164 H260 N4 O75 S3 -","- C164 H260 N4 O75 S3 -","- C656 H1040 N16 O300 S12 -","4","1","","Inouye, Masahiko; Yoshizawa, Atsushi; Shibata, Mari; Yonenaga, Yuki; Fujimoto, Kazuhisa; Sakata, Takuma; Matsumoto, Shinya; Shiro, Motoo","Cyclodextrin-Isolated Alkynylpyrenes as UV-Stable and Blue-Light-Emitting Molecules Even in Condensed States.","Organic letters","2016","18","9","1960","1963","10.1021/acs.orglett.6b00420","","","1.54187","CuKα","","0.1086","0.0997","","","0.2617","0.2703","","","","","","1.021","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555506","10.2913","0.0007","7.9908","0.0004","13.7239","0.0009","90","","97.986","0.002","90","","1117.65","0.12","243","2","243","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C52 H72 O6 -","2","1","","Kakde, Badrinath N.; Kumar, Nivesh; Mondal, Pradip Kumar; Bisai, Alakesh","Approach to Merosesquiterpenes via Lewis Acid Catalyzed Nazarov-Type Cyclization: Total Synthesis of Akaol A.","Organic letters","2016","18","8","1752","1755","10.1021/acs.orglett.6b00446","","","0.71073","MoKα","","0.1011","0.0666","","","0.1499","0.1689","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555507","10.3364","0.0004","8.2959","0.0003","12.9455","0.0006","90","","96.995","0.001","90","","1101.81","0.08","114","2","114","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O3 -","- C26 H38 O3 -","- C52 H76 O6 -","2","1","","Kakde, Badrinath N.; Kumar, Nivesh; Mondal, Pradip Kumar; Bisai, Alakesh","Approach to Merosesquiterpenes via Lewis Acid Catalyzed Nazarov-Type Cyclization: Total Synthesis of Akaol A.","Organic letters","2016","18","8","1752","1755","10.1021/acs.orglett.6b00446","","","0.71073","MoKα","","0.039","0.0368","","","0.0922","0.0938","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555508","12.4616","0.0014","7.5556","0.0008","17.8282","0.0019","90","","109.236","0.002","90","","1584.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0562","0.0465","","","0.1278","0.1389","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555509","6.891","0.002","11.883","0.004","20.413","0.007","90","","90","","90","","1671.5","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O5 -","- C17 H18 Cl N O5 -","- C68 H72 Cl4 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0411","0.0365","","","0.0976","0.1119","","","","","","1.207","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555510","16.5186","0.0017","6.7973","0.0007","17.4934","0.0018","90","","97.222","0.002","90","","1948.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0656","0.0595","","","0.163","0.1719","","","","","","1.18","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555511","7.7825","0.0004","12.1682","0.0007","16.9656","0.0009","90","","90","","90","","1606.63","0.15","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0562","0.0475","","","0.1069","0.1116","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555512","11.3945","0.0008","16.435","0.0011","12.4553","0.0008","90","","107.236","0.0013","90","","2227.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N3 O2 P -","- C26 H20 N3 O2 P -","- C104 H80 N12 O8 P4 -","4","1","","Zheng, Jing; Zhang, Yan; Wang, Dahai; Cui, Sunliang","Silver(I)-Mediated Phosphorylation/Cyclization Cascade of N-Cyanamide Alkenes for Divergent Access to Quinazolinones and Dihydroisoquinolinones.","Organic letters","2016","18","8","1768","1771","10.1021/acs.orglett.6b00481","","","0.71073","MoKα","","0.0856","0.0495","","","0.1141","0.1336","","","","","","0.94","","","","has coordinates","238825","2020-10-21","18:00:00",""
"1555513","10.704","0.0007","21.3272","0.0011","11.2625","0.0006","90","","120.672","0.004","90","","2211.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N3 O2 P -","- C26 H22 N3 O2 P -","- C104 H88 N12 O8 P4 -","4","1","","Zheng, Jing; Zhang, Yan; Wang, Dahai; Cui, Sunliang","Silver(I)-Mediated Phosphorylation/Cyclization Cascade of N-Cyanamide Alkenes for Divergent Access to Quinazolinones and Dihydroisoquinolinones.","Organic letters","2016","18","8","1768","1771","10.1021/acs.orglett.6b00481","","","0.71073","MoKα","","0.051","0.0422","","","0.0994","0.1052","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555514","15.5552","0.001","15.6415","0.001","8.1031","0.0007","90","","94.596","0.007","90","","1965.2","0.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Elliott, Daniel C.; Ma, Tsz-Kan; Selmani, Aymane; Cookson, Rosa; Parsons, Philip J.; Barrett, Anthony G. M.","Sequential Ketene Generation from Dioxane-4,6-dione-keto-dioxinones for the Synthesis of Terpenoid Resorcylates.","Organic letters","2016","18","8","1800","1803","10.1021/acs.orglett.6b00533","","","0.71073","MoKα","","0.1377","0.0751","","","0.1638","0.2066","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555515","12.568","0.009","7.479","0.005","17.461","0.012","90","","108.353","0.008","90","","1557.8","1.9","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O2 -","- C19 H16 Cl N O2 -","- C76 H64 Cl4 N4 O8 -","4","1","","Kotha, Sambasivarao; Aswar, Vikas R.","Target Specific Tactics in Olefin Metathesis: Synthetic Approach to cis-syn-cis-Triquinanes and -Propellanes.","Organic letters","2016","18","8","1808","1811","10.1021/acs.orglett.6b00537","","","0.7107","MoKα","","0.0906","0.0699","","","0.188","0.203","","","","","","1.151","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555516","8.206","0.007","8.581","0.007","10.584","0.009","90.785","0.009","100.066","0.012","104.431","0.012","709.4","1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Kotha, Sambasivarao; Aswar, Vikas R.","Target Specific Tactics in Olefin Metathesis: Synthetic Approach to cis-syn-cis-Triquinanes and -Propellanes.","Organic letters","2016","18","8","1808","1811","10.1021/acs.orglett.6b00537","","","0.7107","MoKα","","","0.0726","","","","0.1904","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555517","29.475","0.011","29.475","0.011","7.245","0.004","90","","90","","120","","5451","4","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C270 H288 O54 -","18","1","","Li, Xiaoyu; Liu, Xiaoyu; Jiao, Xiaozhen; Yang, Hongguang; Yao, Yangyang; Xie, Ping","An approach to (±)-Lingzhiol.","Organic letters","2016","18","8","1944","1946","10.1021/acs.orglett.6b00542","","","1.54178","CuKα","","0.0545","0.0431","","","0.1091","0.1234","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555518","6.613","0.005","28.29","0.012","8.886","0.004","90","","103.404","0.01","90","","1617.1","1.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Li, Xiaoyu; Liu, Xiaoyu; Jiao, Xiaozhen; Yang, Hongguang; Yao, Yangyang; Xie, Ping","An approach to (±)-Lingzhiol.","Organic letters","2016","18","8","1944","1946","10.1021/acs.orglett.6b00542","","","1.54178","CuKα","","0.0576","0.052","","","0.1429","0.1519","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555519","10.4382","0.0006","24.2507","0.0011","10.9589","0.0005","90","","95.0262","0.0018","90","","2763.4","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Br Cl N O2 -","- C13 H15 Br Cl N O2 -","- C104 H120 Br8 Cl8 N8 O16 -","8","2","","Wang, Mengzhou; Zhang, Yanyan; Wang, Tao; Wang, Chao; Xue, Dong; Xiao, Jianliang","Story of an Age-Old Reagent: An Electrophilic Chlorination of Arenes and Heterocycles by 1-Chloro-1,2-benziodoxol-3-one.","Organic letters","2016","18","9","1976","1979","10.1021/acs.orglett.6b00547","","x-ray","0.71073","MoKα","","0.0508","0.039","","","0.0973","0.1042","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555520","9.8146","0.0003","3.9248","0.0001","20.553","0.0006","90","","103.021","0.001","90","","771.35","0.04","153","","153.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl N2 -","- C9 H7 Cl N2 -","- C36 H28 Cl4 N8 -","4","1","","Wang, Mengzhou; Zhang, Yanyan; Wang, Tao; Wang, Chao; Xue, Dong; Xiao, Jianliang","Story of an Age-Old Reagent: An Electrophilic Chlorination of Arenes and Heterocycles by 1-Chloro-1,2-benziodoxol-3-one.","Organic letters","2016","18","9","1976","1979","10.1021/acs.orglett.6b00547","","","0.71073","MoKα","","0.0421","0.0371","","","0.103","0.106","","","","","","1.093","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555521","7.8577","0.0006","14.9042","0.0008","9.3787","0.0007","90","","113.529","0.009","90","","1007.05","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 F2 N4 O2 -","- C23 H16 F2 N4 O2 -","- C46 H32 F4 N8 O4 -","2","1","","Qiao, Jin-Bao; Zhao, Yu-Ming; Gu, Peiming","Asymmetric Intramolecular Desymmetrization of meso-α,α'-Diazido Alcohols with Aryldiazoacetates: Assembly of Chiral C3 Fragments with Three Continuous Stereocenters.","Organic letters","2016","18","9","1984","1987","10.1021/acs.orglett.6b00570","","x-ray","1.54184","CuKα","","0.0362","0.0319","","","0.0763","0.08","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555522","6.433","0.002","7.542","0.003","15.771","0.006","90.874","0.006","95.675","0.007","109.593","0.008","716.4","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O3 -","- C15 H21 N3 O3 -","- C30 H42 N6 O6 -","2","1","","Mehr, S Hessam M; Patrick, Brian O.; MacLachlan, Mark J.","Stabilization of a Strained Heteroradialene by Peripheral Electron Delocalization.","Organic letters","2016","18","8","1840","1843","10.1021/acs.orglett.6b00577","","x-ray","0.71073","MoKα","","0.0645","0.0516","","","0.1365","0.1443","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555523","13.3762","0.0008","9.6596","0.0006","13.4588","0.0008","90","","93.8818","0.001","90","","1735.01","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl F N O -","- C17 H25 Cl F N O -","- C68 H100 Cl4 F4 N4 O4 -","4","1","","Hamel, Jean-Denys; Cloutier, Mélissa; Paquin, Jean-François","Exploiting a Difference in Leaving Group Ability: An Approach to β-Substituted Monofluoroalkenes Using gem-Chlorofluoropropenes.","Organic letters","2016","18","8","1852","1855","10.1021/acs.orglett.6b00590","","","0.71073","MoKα","","0.0384","0.032","","","0.0832","0.0887","","","","","","1.0425","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555524","6.4855","0.0007","7.5481","0.0006","13.9074","0.0011","90","","95.824","0.009","90","","677.3","0.11","180","0.1","180","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C20 H14 -","- C20 H14 -","- C40 H28 -","2","1","","Zhou, Yujing; Ye, Fei; Zhou, Qi; Zhang, Yan; Wang, Jianbo","Cu(I)-Catalyzed Tandem Reaction of Carbene Coupling and Horner-Wadsworth-Emmons Type Olefination: Access toward Enynes.","Organic letters","2016","18","9","2024","2027","10.1021/acs.orglett.6b00631","","","0.71073","MoKα","","0.0645","0.0466","","","0.0963","0.1096","","","","","","1.13","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555525","11.2183","0.0014","17.958","0.002","25.733","0.002","90","","90","","90","","5184.1","1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 N O3 S Si -","- C23 H39 N O3 S Si -","- C184 H312 N8 O24 S8 Si8 -","8","2","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0469","0.0444","","","0.0988","0.101","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555526","8.174","0.003","12.797","0.005","21.823","0.008","90","","90","","90","","2282.7","1.5","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N3 O3 -","- C25 H37 N3 O3 -","- C100 H148 N12 O12 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0677","0.0595","","","0.1051","0.1086","","","","","","1.133","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555527","11.42","0.0006","19.1624","0.001","9.3685","0.0009","90","","90","","90","","2050.2","0.2","173.15","","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H33 N O5 -","- C21 H33 N O5 -","- C84 H132 N4 O20 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0407","0.04","","","0.0987","0.0994","","","","","","1.113","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555528","7.71375","0.00006","8.88494","0.00009","28.0459","0.0002","90","","90","","90","","1922.16","0.03","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 N O5 -","- C18 H31 N O5 -","- C72 H124 N4 O20 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","1.54184","CuKα","","0.0378","0.0372","","","0.1035","0.1042","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555529","11.5555","0.0011","6.7668","0.0006","12.9264","0.0014","90","","98.846","0.005","90","","998.74","0.17","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O5 -","- C21 H31 N O5 -","- C42 H62 N2 O10 -","2","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0312","0.0308","","","0.0754","0.0757","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555530","17.4392","0.0006","7.3355","0.0002","17.5242","0.0006","90","","94.296","0.003","90","","2235.49","0.12","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","1","","Hsieh, Ya-Chu; Wu, Tsun-Cheng; Li, Jen-Yi; Chen, Yi-Ting; Kuo, Ming-Yu; Chou, Pi-Tai; Wu, Yao-Ting","Dinaphthozethrene and Diindenozethrene: Synthesis, Structural Analysis, and Properties.","Organic letters","2016","18","8","1868","1871","10.1021/acs.orglett.6b00637","","","1.54178","CuKα","","0.06","0.0454","","","0.1209","0.1321","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555531","12.7866","0.0005","3.9237","0.0001","42.438","0.0015","90","","95.156","0.003","90","","2120.53","0.12","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H18 -","- C36 H18 -","- C144 H72 -","4","1","","Hsieh, Ya-Chu; Wu, Tsun-Cheng; Li, Jen-Yi; Chen, Yi-Ting; Kuo, Ming-Yu; Chou, Pi-Tai; Wu, Yao-Ting","Dinaphthozethrene and Diindenozethrene: Synthesis, Structural Analysis, and Properties.","Organic letters","2016","18","8","1868","1871","10.1021/acs.orglett.6b00637","","","1.54178","CuKα","","0.0623","0.048","","","0.128","0.1399","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555532","7.5865","0.0015","11.136","0.002","15.609","0.003","90","","96.63","0.03","90","","1309.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br N2 O -","- C15 H11 Br N2 O -","- C60 H44 Br4 N8 O4 -","4","1","","Wang, Jie; Zha, Shanke; Chen, Kehao; Zhang, Feifei; Song, Chao; Zhu, Jin","Quinazoline Synthesis via Rh(III)-Catalyzed Intermolecular C-H Functionalization of Benzimidates with Dioxazolones.","Organic letters","2016","18","9","2062","2065","10.1021/acs.orglett.6b00691","","","0.71073","MoKα","","0.0708","0.0365","","","0.0732","0.0822","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555533","10.3493","0.0005","16.6118","0.0005","11.4274","0.0006","90","","116.111","0.006","90","","1764.1","0.16","293.18","0.1","293.18","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 S2 -","- C20 H20 O2 S2 -","- C80 H80 O8 S8 -","4","1","","Lai, Junshan; Liang, Yongping; Liu, Teng; Tang, Shouchu","Dithiane Induced Cycloaddition/Aromatization Tactic for the Synthesis of Multisubstituted Furans.","Organic letters","2016","18","9","2066","2069","10.1021/acs.orglett.6b00699","","x-ray","0.71073","MoKα","","0.0691","0.0453","","","0.0975","0.1133","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555534","9.7442","0.0009","6.1717","0.0005","14.9524","0.0013","90","","90.609","0.002","90","","899.16","0.14","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C40 H56 N4 O6 -","2","1","","Hsieh, Sheng-Ying; Bode, Jeffrey W.","Silicon Amine Reagents for the Photocatalytic Synthesis of Piperazines from Aldehydes and Ketones.","Organic letters","2016","18","9","2098","2101","10.1021/acs.orglett.6b00722","","x-ray","0.71073","MoKα","","0.0662","0.0448","","","0.0886","0.0969","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555535","13.0578","0.0011","15.8566","0.0013","18.5108","0.0015","90","","91.055","0.002","90","","3832.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl N O Rh -","- C19 H25 Cl N O Rh -","- C152 H200 Cl8 N8 O8 Rh8 -","8","2","","Wang, Qiang; Li, Xingwei","Synthesis of 1H-Indazoles from Imidates and Nitrosobenzenes via Synergistic Rhodium/Copper Catalysis.","Organic letters","2016","18","9","2102","2105","10.1021/acs.orglett.6b00727","","","0.71073","MoKα","","0.0434","0.0327","","","0.0773","0.0829","","","","","","1.011","","","","has coordinates","238866","2020-10-21","18:00:00",""
"1555536","5.92604","0.00015","12.2676","0.0003","9.9444","0.0002","90","","103.755","0.002","90","","702.21","0.03","123","0.2","123","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O3 S -","- C15 H15 Br O3 S -","- C30 H30 Br2 O6 S2 -","2","1","","Pagire, Santosh K.; Paria, Suva; Reiser, Oliver","Synthesis of β-Hydroxysulfones from Sulfonyl Chlorides and Alkenes Utilizing Visible Light Photocatalytic Sequences.","Organic letters","2016","18","9","2106","2109","10.1021/acs.orglett.6b00734","","x-ray","1.54184","CuKα","","0.0421","0.0419","","","0.1079","0.1082","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555537","14.011","0.0003","16.7528","0.0003","20.7802","0.0004","90","","105.001","0.007","90","","4711.4","0.2","123","","123","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C46 H39 Au2 F6 N O5 P2 S3 -","- C46 H39 Au2 F6 N O5 P2 S3 -","- C184 H156 Au8 F24 N4 O20 P8 S12 -","4","2","","Tamai, Taichi; Fujiwara, Keiko; Higashimae, Shinya; Nomoto, Akihiro; Ogawa, Akiya","Gold-Catalyzed Anti-Markovnikov Selective Hydrothiolation of Unactivated Alkenes.","Organic letters","2016","18","9","2114","2117","10.1021/acs.orglett.6b00746","","","0.71075","MoKα","","0.032","0.0294","","","0.073","0.0741","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555538","9.8079","0.0017","8.8394","0.0015","12.567","0.002","90","","99.596","0.003","90","","1074.3","0.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rutsbm01","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Fraboni, Americo J.; Brenner-Moyer, Stacey E","Dienamine-Catalyzed Nitrone Formation via Redox Reaction.","Organic letters","2016","18","9","2146","2149","10.1021/acs.orglett.6b00770","","","0.71073","MoKα","","0.0776","0.049","","","0.1223","0.1379","","","","","","1.029","","","","has coordinates","238869","2020-10-21","18:00:00",""
"1555539","7.5091","0.0001","10.1225","0.0002","12.5419","0.0002","76.957","0.001","81.066","0.001","75.302","0.001","893.46","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","L206","","","- C16 H15 Br Cl3 N O2 -","- C16 H15 Br Cl3 N O2 -","- C32 H30 Br2 Cl6 N2 O4 -","2","1","","García-García, Carolina; Ortiz-Rojano, Laura; Álvarez, Susana; Álvarez, Rosana; Ribagorda, María; Carreño, M Carmen","Friedel-Crafts Alkylation of Indoles with p-Quinols: The Role of Hydrogen Bonding of Water for the Desymmetrization of the Cyclohexadienone System.","Organic letters","2016","18","9","2224","2227","10.1021/acs.orglett.6b00781","","","0.71073","","","0.0495","0.0444","","","0.1327","0.146","","","","","","0.999","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555540","3.991","0.002","10.967","0.005","15.118","0.006","73.536","0.008","86.417","0.008","81.507","0.007","627.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Wang, Lianjie; Liu, Xiaocui; Wang, Mang; Liu, Jun","Copper(I)-Catalyzed Heterocyclization of α-Acyl-α-alkynyl Ketene Dithioacetals: Synthesis of 3-Cyanofurans.","Organic letters","2016","18","9","2162","2165","10.1021/acs.orglett.6b00785","","","0.71069","MoKα","","0.1627","0.0663","","","0.1698","0.2399","","","","","","0.933","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555541","19.7536","0.0013","19.7536","0.0013","9.0366","0.0007","90","","90","","90","","3526.1","0.4","100","2","100","2","","","","","","","","3","I 41","I 4bw","80","","","","- C20 H27 O3.5 -","- C20 H26 O3.5 -","- C160 H208 O28 -","8","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0791","0.0759","","","0.2215","0.2266","","","","","","1.083","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555542","9.7169","0.0002","10.1381","0.0002","17.5286","0.0003","90","","90","","90","","1726.76","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0296","0.0296","","","0.0771","0.0771","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555543","18.2916","0.0005","8.7712","0.0003","12.993","0.0004","90","","103.232","0.001","90","","2029.24","0.11","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0463","0.0462","","","0.1278","0.1282","","","","","","1.133","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555544","8.6651","0.0006","5.8524","0.0003","18.9495","0.001","90","","93.712","0.005","90","","958.94","0.1","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N O2 -","- C22 H20 Br N O2 -","- C44 H40 Br2 N2 O4 -","2","1","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","0.71073","MoKα","","0.072","0.0589","","","0.1301","0.141","","","","","","1.091","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555545","12.7971","0.0003","12.8656","0.0003","14.0933","0.0003","88.968","0.001","86.108","0.001","66.582","0.001","2124.21","0.09","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C96 H100 N4 O16 -","4","4","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","1.54178","CuKα","","0.0313","0.0307","","","0.0827","0.0833","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555546","5.9977","0.0001","8.669","0.0001","42.0392","0.0007","90","","90","","90","","2185.79","0.06","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","1.54178","CuKα","","0.0317","0.0299","","","0.0721","0.0732","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555547","10.2707","0.0013","12.5581","0.0013","14.2615","0.0015","78.265","0.009","69.761","0.011","81.577","0.009","1684","0.4","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N2 O S -","- C40 H40 N2 O S -","- C80 H80 N4 O2 S2 -","2","1","","Makarov, Anton S.; Merkushev, Anton A.; Uchuskin, Maxim G.; Trushkov, Igor V.","Oxidative Furan-to-Indole Rearrangement. Synthesis of 2-(2-Acylvinyl)indoles and Flinderole C Analogues.","Organic letters","2016","18","9","2192","2195","10.1021/acs.orglett.6b00805","","x-ray","0.71073","MoKα","","0.0769","0.0539","","","0.1287","0.1486","","","","","","1.022","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555548","9.9795","0.0017","10.2314","0.0013","12.8722","0.0013","92.489","0.01","106.194","0.013","96.538","0.012","1250.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-methyl-3'-phenyl-1'-tosyl-5H-spiro[furan-2,2'-indolin]-5-ol","","- C26 H25 Cl2 N O4 S -","- C26 H25 Cl2 N O4 S -","- C52 H50 Cl4 N2 O8 S2 -","2","1","","Makarov, Anton S.; Merkushev, Anton A.; Uchuskin, Maxim G.; Trushkov, Igor V.","Oxidative Furan-to-Indole Rearrangement. Synthesis of 2-(2-Acylvinyl)indoles and Flinderole C Analogues.","Organic letters","2016","18","9","2192","2195","10.1021/acs.orglett.6b00805","","x-ray","0.71073","MoKα","","0.0779","0.0623","","","0.1761","0.1892","","","","","","1.06","","","","has coordinates,has disorder","238884","2020-10-21","18:00:00",""
"1555549","10.3062","0.0005","11.6276","0.0006","13.2088","0.0007","75.92","0.004","88.72","0.004","87.09","0.004","1533.28","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","2","","Saunthwal, Rakesh K.; Patel, Monika; Verma, Akhilesh K.","Metal- and Protection-Free [4 + 2] Cycloadditions of Alkynes with Azadienes: Assembly of Functionalized Quinolines.","Organic letters","2016","18","9","2200","2203","10.1021/acs.orglett.6b00817","","","0.71073","MoKα","","0.0634","0.048","","","0.1599","0.1848","","","","","","0.603","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555550","9.3458","0.0007","13.3878","0.001","9.015","0.0007","90","","104.592","0.007","90","","1091.57","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(trifluoromethyl)-7,8,9,9a-tetrahydrobenzo[4,5]imidazo[1,2-a]pyridin-6(5aH)-one","","- C12 H9 F3 N2 O -","- C12 H9 F3 N2 O -","- C48 H36 F12 N8 O4 -","4","1","","Nguyen, Thanh Binh; Ermolenko, Ludmila; Retailleau, Pascal; Al-Mourabit, Ali","Molecular Iodine-Catalyzed Aerobic α,β-Diamination of Cyclohexanones with 2-Aminopyrimidine and 2-Aminopyridines.","Organic letters","2016","18","9","2177","2179","10.1021/acs.orglett.6b00823","","","0.71075","MoKα","","0.0615","0.0487","","","0.1413","0.1519","","","","","","1.081","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555551","8.94706","0.00018","11.2291","0.0003","14.9983","0.0003","90","","102.552","0.002","90","","1470.83","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Halskov, Kim Søholm; Næsborg, Line; Tur, Fernando; Jørgensen, Karl Anker","Asymmetric [3 + 2] Cycloaddition of Vinylcyclopropanes and α,β-Unsaturated Aldehydes by Synergistic Palladium and Organocatalysis.","Organic letters","2016","18","9","2220","2223","10.1021/acs.orglett.6b00852","","x-ray","0.71073","MoKα","","0.067","0.0514","","","0.1077","0.1176","","","","","","1.0567","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555552","15.3345","0.0015","17.4841","0.0018","6.9026","0.0006","90","","90","","90","","1850.7","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H9 Cl N4 O -","- C8 H9 Cl N4 O -","- C64 H72 Cl8 N32 O8 -","8","2","","Sun, Huan-Li; Chen, Fei; Xie, Ming-Sheng; Guo, Hai-Ming; Qu, Gui-Rong; He, Yan-Mei; Fan, Qing-Hua","Asymmetric Hydrogenation of α-Purine Nucleobase-Substituted Acrylates with Rhodium Diphosphine Complexes: Access to Tenofovir Analogues.","Organic letters","2016","18","9","2260","2263","10.1021/acs.orglett.6b00869","","","0.71073","MoKα","","0.0318","0.0315","","","0.0821","0.0823","","","","","","1.119","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555553","9.7821","0.0003","11.5835","0.0004","14.8591","0.0005","90","","90","","90","","1683.7","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ethyl (2'S,3R,4'S,5'S)-2'-ethyl-5-fluoro-5'-methyl-2-oxo-5',6' -dihydro-2'H,4'H-spiro[indoline-3,3'-pyran]-4'-carboxylate","","","- C18 H22 F N O4 -","- C18 H22 F N O4 -","- C72 H88 F4 N4 O16 -","4","1","","Zhu, Luyi; Chen, Qiliang; Shen, Dan; Zhang, Weihao; Shen, Cong; Zeng, Xiaofei; Zhong, Guofu","Enantioselective Construction of Spirocyclic Oxindole Derivatives with Multiple Stereocenters via an Organocatalytic Michael/Aldol/Hemiacetalization Cascade Reaction.","Organic letters","2016","18","10","2387","2390","10.1021/acs.orglett.6b00873","","","1.54178","CuKα","","0.0325","0.0311","","","0.0834","0.0847","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555554","16.268","0.003","7.4469","0.0012","22.374","0.004","90","","110.413","0.003","90","","2540.3","0.8","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O6 S2 -","- C28 H24 O6 S2 -","- C112 H96 O24 S8 -","4","1","","Ni, Chunjie; Wang, MingLi; Tong, Xiaofeng","Access to Thiophene and 1H-Pyrrole via Amine-Initiated (3 + 2) Annulation and Aromatization Cascade Reaction of β'-Acetoxy Allenoate and 1,2-Bisnucleophile.","Organic letters","2016","18","9","2240","2243","10.1021/acs.orglett.6b00874","","","0.71073","MoKα","","0.0681","0.0461","","","0.1335","0.1537","","","","","","0.959","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555555","10.2049","0.0013","23.693","0.002","12.5597","0.0016","90","","107.704","0.013","90","","2892.9","0.6","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cl N O5 S -","- C33 H26 Cl N O5 S -","- C132 H104 Cl4 N4 O20 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Iron-Catalyzed Radical [2 + 2 + 2] Annulation of Benzene-Linked 1,7-Enynes with Aldehydes: Fused Pyran Compounds.","Organic letters","2016","18","9","2264","2267","10.1021/acs.orglett.6b00902","","","0.71073","MoKα","","0.126","0.0721","","","0.168","0.218","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555556","8.4295","0.0003","10.9126","0.0004","22.07","0.0009","90","","90.7067","0.0013","90","","2030.02","0.13","105","2","105","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C88 H72 Br8 O16 -","4","1","","Li, Shuangjiang; Huang, Changfeng; Thakellapalli, Haresh; Farajidizaji, Behzad; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Syntheses and Structures of Functionalized [9]Cycloparaphenylenes as Carbon Nanohoops Bearing Carbomethoxy and N-Phenylphthalimido Groups.","Organic letters","2016","18","9","2268","2271","10.1021/acs.orglett.6b00904","","","0.71073","MoKα","","0.0556","0.0348","","","0.0727","0.0811","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555557","14.0233","0.0008","16.2794","0.001","19.2082","0.0011","66.9176","0.0015","72.0505","0.0016","77.5633","0.0016","3815.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H80 Cl2 O12 -","- C91 H80 Cl2 O12 -","- C182 H160 Cl4 O24 -","2","1","","Li, Shuangjiang; Huang, Changfeng; Thakellapalli, Haresh; Farajidizaji, Behzad; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Syntheses and Structures of Functionalized [9]Cycloparaphenylenes as Carbon Nanohoops Bearing Carbomethoxy and N-Phenylphthalimido Groups.","Organic letters","2016","18","9","2268","2271","10.1021/acs.orglett.6b00904","","","0.71073","MoKα","","0.1362","0.0792","","","0.1516","0.188","","","","","","1.048","","","","has coordinates,has disorder","238892","2020-10-21","18:00:00",""
"1555558","11.2926","0.0015","12.6823","0.0016","13.3977","0.0018","90","","112.956","0.002","90","","1766.8","0.4","293","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian","Correction to ""Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides"".","Organic letters","2016","18","9","2323","2324","10.1021/acs.orglett.6b00921","","","0.71073","MoKα","","0.105","0.0522","","","0.1345","0.1628","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555559","13.3405","0.0017","7.7448","0.001","22.406","0.003","90","","104.615","0.003","90","","2240.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C116 H96 O12 -","4","1","","Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian","Correction to ""Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides"".","Organic letters","2016","18","9","2323","2324","10.1021/acs.orglett.6b00921","","","0.71073","MoKα","","0.0774","0.0478","","","0.1223","0.1392","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555560","5.737","0.0005","7.6865","0.0007","13.5874","0.0012","88.575","0.002","86.523","0.002","88.004","0.002","597.55","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 F2 N2 O S -","- C14 H8 F2 N2 O S -","- C28 H16 F4 N4 O2 S2 -","2","1","","Castanheiro, Thomas; Suffert, Jean; Gulea, Mihaela; Donnard, Morgan","Aerobic Copper-Mediated Domino Three-Component Approach to 2-Aminobenzothiazole Derivatives.","Organic letters","2016","18","11","2588","2591","10.1021/acs.orglett.6b00967","","","0.71073","MoKα","","0.0563","0.0443","","","0.1068","0.1143","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555561","7.7454","0.0002","10.3627","0.0003","11.1019","0.0004","107.48","0.003","90.474","0.003","97.723","0.003","841.1","0.05","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Br N2 O2 -","- C20 H17 Br N2 O2 -","- C40 H34 Br2 N4 O4 -","2","1","","Liang, Ling; Huang, You","Phosphine-Catalyzed [3 + 3]-Domino Cycloaddition of Ynones and Azomethine Imines To Construct Functionalized Hydropyridazine Derivatives.","Organic letters","2016","18","11","2604","2607","10.1021/acs.orglett.6b00988","","x-ray","0.71073","MoKα","","0.028","0.0262","","","0.0765","0.077","","","","","","1.165","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555562","13.5393","0.0008","9.9243","0.0004","17.0947","0.001","90","","103.566","0.006","90","","2232.9","0.2","295.35","0.1","295.35","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 F2 N2 O2 -","- C23 H30 F2 N2 O2 -","- C92 H120 F8 N8 O8 -","4","1","","Wang, Qiang; He, Yu-Tao; Zhao, Jia-Hui; Qiu, Yi-Feng; Zheng, Lan; Hu, Jing-Yuan; Yang, Yu-Chen; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Regioselective Difluoroalkylation and Carbonylation of Alkynes.","Organic letters","2016","18","11","2664","2667","10.1021/acs.orglett.6b01038","","x-ray","0.71073","MoKα","","0.1148","0.0632","","","0.1678","0.2101","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555563","15.368","0.003","8.0607","0.0016","16.717","0.003","90","","114.31","0.03","90","","1887.2","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl2 N O4 S -","- C20 H15 Cl2 N O4 S -","- C80 H60 Cl8 N4 O16 S4 -","4","1","","Jia, Penghao; Huang, You","Sequential Annulation Domino Reaction of Sulfur Ylides and α,β-Unsaturated Cyclic Ketimines: Synthesis of Cyclic 2-Alkenyl Aziridines.","Organic letters","2016","18","10","2475","2478","10.1021/acs.orglett.6b01045","","","0.71073","MoKα","","0.1053","0.0976","","","0.249","0.2526","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555564","8.6938","0.0012","9.8115","0.0011","18.943","0.002","90","","90","","90","","1615.8","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O3 S -","- C16 H24 N2 O3 S -","- C64 H96 N8 O12 S4 -","4","1","","Crossley, Steven W. M.; Martinez, Ruben M.; Guevara-Zuluaga, Sebastián; Shenvi, Ryan A.","Synthesis of the Privileged 8-Arylmenthol Class by Radical Arylation of Isopulegol.","Organic letters","2016","18","11","2620","2623","10.1021/acs.orglett.6b01047","","x-ray","0.71073","MoKα","","0.0598","0.0472","","","0.1019","0.1106","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555565","7.7666","0.0005","15.5767","0.0006","16.2634","0.0006","91.394","0.004","99.881","0.004","90.214","0.004","1937.69","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C84 H88 N8 O24 -","4","2","","Crossley, Steven W. M.; Martinez, Ruben M.; Guevara-Zuluaga, Sebastián; Shenvi, Ryan A.","Synthesis of the Privileged 8-Arylmenthol Class by Radical Arylation of Isopulegol.","Organic letters","2016","18","11","2620","2623","10.1021/acs.orglett.6b01047","","x-ray","1.54178","CuKα","","0.0489","0.0412","","","0.1013","0.1049","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555566","8.6308","0.0013","13.95","0.002","15.866","0.003","102.47","0.011","103.64","0.011","105.496","0.013","1707.7","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","2-Methylnaphthalen-1-yl(S,E)-4-(4-fluorophenyl)-2-{(S)-[(4-methylphenyl) sulfonamido](phenyl)methyl}but-3-enoate dimethyl sulfoxide solvate","","- C37 H36 F N O5 S2 -","- C37 H36 F N O5 S2 -","- C74 H72 F2 N2 O10 S4 -","2","1","","Guang, Jie; Rout, Saroj; Bihani, Manisha; Larson, Ariel J.; Arman, Hadi D.; Zhao, John C.-G.","Organocatalyzed Enantioselective Direct Mannich Reaction of α-Styrylacetates.","Organic letters","2016","18","11","2648","2651","10.1021/acs.orglett.6b01087","","","0.71073","MoKα","","0.0749","0.0636","","","0.1332","0.1389","","","","","","0.992","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555567","5.76","0.0006","42.882","0.004","8.034","0.0008","90","","94.022","0.003","90","","1979.5","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-(Methoxymethoxy)-2-(Perfluorophenyl)Piperidin-1-yl)(4-Nitrophenyl)Methanone","","- C20 H17 F5 N2 O5 -","- C20 H17 F5 N2 O5 -","- C80 H68 F20 N8 O20 -","4","1","","Luescher, Michael U.; Bode, Jeffrey W.","SnAP-eX Reagents for the Synthesis of Exocyclic 3-Amino- and 3-Alkoxypyrrolidines and Piperidines from Aldehydes.","Organic letters","2016","18","11","2652","2655","10.1021/acs.orglett.6b01099","","x-ray","0.71073","MoKα","","0.0478","0.0374","","","0.0814","0.0864","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555568","13.2033","0.0017","7.3109","0.0011","17.144","0.002","90","","97.707","0.005","90","","1639.9","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-tert-Butyl (2-(o-tolyl)piperidin-3-yl)carbamate","","- C17 H26 N2 O2 -","- C17 H26 N2 O2 -","- C68 H104 N8 O8 -","4","1","","Luescher, Michael U.; Bode, Jeffrey W.","SnAP-eX Reagents for the Synthesis of Exocyclic 3-Amino- and 3-Alkoxypyrrolidines and Piperidines from Aldehydes.","Organic letters","2016","18","11","2652","2655","10.1021/acs.orglett.6b01099","","x-ray","0.71073","MoKα","","0.0748","0.0475","","","0.1063","0.1209","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555569","14.84","0.0017","6.9273","0.0007","15.2459","0.0018","90","","109.128","0.003","90","","1480.8","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl F5 N O2 -","- C13 H15 Cl F5 N O2 -","- C52 H60 Cl4 F20 N4 O8 -","4","1","","Luescher, Michael U.; Bode, Jeffrey W.","SnAP-eX Reagents for the Synthesis of Exocyclic 3-Amino- and 3-Alkoxypyrrolidines and Piperidines from Aldehydes.","Organic letters","2016","18","11","2652","2655","10.1021/acs.orglett.6b01099","","x-ray","0.71073","MoKα","","0.0492","0.0345","","","0.0805","0.089","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555570","11.311","0.002","5.661","0.0012","16.455","0.003","90","","108.595","0.005","90","","998.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C48 H38 Br2 N4 O4 -","2","1","","Winterton, Sarah E.; Ready, Joseph M.","[3 + 2]-Cycloadditions of Azomethine Imines and Ynolates.","Organic letters","2016","18","11","2608","2611","10.1021/acs.orglett.6b01104","","","0.71073","MoKα","","0.042","0.0357","","","0.077","0.08","","","","","","0.986","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555571","5.9846","0.0016","7.913","0.002","12.691","0.003","99.814","0.01","95.953","0.009","107.509","0.01","557","0.2","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(4aS,4bR,6R,10bR)-8,9-dimethoxy-1,1,4a,10b-tetramethyl-7-nitro-1,2,3,4,4a,4b,5,6,10b,11,12,12a,-dodecahydrochrysen-6-ol","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C24 H35 N O5 -","1","1","","Nagaraju, Karre; Chegondi, Rambabu; Chandrasekhar, Srivari","Expanding Diversity without Protecting Groups: (+)-Sclareolide to Indolosesquiterpene Alkaloid Mycoleptodiscin A and Analogues.","Organic letters","2016","18","11","2684","2687","10.1021/acs.orglett.6b01145","","","0.71073","MoKα","","0.096","0.0617","","","0.13","0.1429","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555572","6.0956","0.0002","15.5691","0.0007","24.6358","0.0011","90","","90","","90","","2338.01","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS,4bR,6S,10bR)-8,9-dimethoxy-1,1,4a,10b-tetramethyl-7-nitro-1,2,3,4,4a,4b,5,6,10b,11,12,12a,-dodecahydrochrysene-6-carbonitrile","","- C25 H34 N2 O4 -","- C25 H34 N2 O4 -","- C100 H136 N8 O16 -","4","1","","Nagaraju, Karre; Chegondi, Rambabu; Chandrasekhar, Srivari","Expanding Diversity without Protecting Groups: (+)-Sclareolide to Indolosesquiterpene Alkaloid Mycoleptodiscin A and Analogues.","Organic letters","2016","18","11","2684","2687","10.1021/acs.orglett.6b01145","","","0.71073","MoKα","","0.0874","0.059","","","0.1397","0.1581","","","","","","1.185","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555573","11.7488","0.0003","11.331","0.0003","16.0382","0.0004","90","","110.789","0.001","90","","1996.09","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 1","","","- C23 H21 B N2 O2 -","- C23 H21 B N2 O2 -","- C92 H84 B4 N8 O8 -","4","1","","Mazzanti, Andrea; Mercanti, Elia; Mancinelli, Michele","Axial Chirality about Boron-Carbon Bond: Atropisomeric Azaborines.","Organic letters","2016","18","11","2692","2695","10.1021/acs.orglett.6b01159","","","0.71073","MoKα","","0.0588","0.0467","","","0.1419","0.1616","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555574","10.004","0.002","10.563","0.002","12.631","0.003","94.414","0.004","111.883","0.004","93.763","0.004","1228.5","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H38 O3 -","- C27 H38 O3 -","- C54 H76 O6 -","2","1","","Shen, Yangyong; Qi, Jifeng; Mao, Zhenjun; Cui, Sunliang","Fe-Catalyzed Hydroalkylation of Olefins with para-Quinone Methides.","Organic letters","2016","18","11","2722","2725","10.1021/acs.orglett.6b01173","","","0.71073","MoKα","","0.122","0.0594","","","0.1275","0.1578","","","","","","0.993","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555575","6.37164","0.00008","8.13751","0.00015","26.6535","0.0003","90","","90","","90","","1381.96","0.03","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 F3 N2 -","- C16 H15 F3 N2 -","- C64 H60 F12 N8 -","4","1","","Ma, Wenpeng; Chen, Fei; Liu, Youran; He, Yan-Mei; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of 1,8-Naphthyridine Derivatives.","Organic letters","2016","18","11","2730","2733","10.1021/acs.orglett.6b01186","","","1.54184","CuKα","","0.0311","0.0309","","","0.079","0.0791","","","","","","1.068","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555576","10.581","0.003","9.532","0.003","11.106","0.003","90","","90.577","0.003","90","","1120.1","0.6","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C54 H48 N4 O4 S2 -","2","1","","Ma, Wenpeng; Chen, Fei; Liu, Youran; He, Yan-Mei; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of 1,8-Naphthyridine Derivatives.","Organic letters","2016","18","11","2730","2733","10.1021/acs.orglett.6b01186","","","0.71073","MoKα","","0.0307","0.0302","","","0.0755","0.0759","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555577","9.2442","0.001","9.4365","0.001","10.1285","0.0011","109.029","0.01","92.163","0.009","110.061","0.01","773.37","0.17","289","2","289","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun","[3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides.","Organic letters","2016","18","11","2738","2741","10.1021/acs.orglett.6b01194","","","0.71073","MoKα","","0.0861","0.052","","","0.1272","0.1962","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555578","20.6513","0.0013","5.9284","0.0004","14.7885","0.0009","90","","90","","90","","1810.5","0.2","290.56","0.1","290.56","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H19 N0.25 O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun","[3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides.","Organic letters","2016","18","11","2738","2741","10.1021/acs.orglett.6b01194","","x-ray","0.71073","MoKα","","0.0416","0.0375","","","0.0824","0.0843","","","","","","1.097","","","","has coordinates","238913","2020-10-21","18:00:00",""
"1555579","11.661","0.003","12.035","0.003","17.572","0.005","102.313","0.004","101.456","0.004","102.201","0.002","2276.9","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H42 B Cl3 F2 N2 O4 -","- C49 H42 B Cl3 F2 N2 O4 -","- C98 H84 B2 Cl6 F4 N4 O8 -","2","1","","Gobo, Yuki; Yamamura, Masaki; Nakamura, Takashi; Nabeshima, Tatsuya","Synthesis and Chiroptical Properties of a Ring-Fused BODIPY with a Skewed Chiral π Skeleton.","Organic letters","2016","18","11","2719","2721","10.1021/acs.orglett.6b01237","","","0.71073","MoKα","","0.0609","0.0496","","","0.1093","0.1146","","","","","","1.029","","","","has coordinates","238914","2020-10-21","18:00:00",""
"1555580","19.489","0.004","25.41","0.005","16.809","0.004","90","","100.702","0.002","90","","8179","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H41 B F2 N2 O4 -","- C48 H41 B F2 N2 O4 -","- C384 H328 B8 F16 N16 O32 -","8","1","","Gobo, Yuki; Yamamura, Masaki; Nakamura, Takashi; Nabeshima, Tatsuya","Synthesis and Chiroptical Properties of a Ring-Fused BODIPY with a Skewed Chiral π Skeleton.","Organic letters","2016","18","11","2719","2721","10.1021/acs.orglett.6b01237","","","0.71073","MoKα","","0.0621","0.046","","","0.1182","0.125","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555581","16.5088","0.0009","8.4395","0.0005","16.9774","0.0008","90","","109.4","0.001","90","","2231.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 N O2 Si -","- C21 H33 N O2 Si -","- C84 H132 N4 O8 Si4 -","4","1","","Boobalan, Ramadoss; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Ruthenium-Catalyzed C-H Alkynylation of Aromatic Amides with Hypervalent Iodine-Alkyne Reagents.","Organic letters","2016","18","14","3314","3317","10.1021/acs.orglett.6b01281","","","0.71073","MoKα","","0.0894","0.0524","","","0.1498","0.1768","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555582","18.781","0.005","13.854","0.004","8.134","0.002","90","","93.886","0.004","90","","2111.5","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl N O2 Si -","- C19 H28 Cl N O2 Si -","- C76 H112 Cl4 N4 O8 Si4 -","4","1","","Boobalan, Ramadoss; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Ruthenium-Catalyzed C-H Alkynylation of Aromatic Amides with Hypervalent Iodine-Alkyne Reagents.","Organic letters","2016","18","14","3314","3317","10.1021/acs.orglett.6b01281","","","0.71073","MoKα","","0.153","0.0692","","","0.1799","0.2323","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555583","8.9792","0.0007","16.193","0.0013","13.2363","0.001","90","","106.625","0.001","90","","1844.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bcg2-15B","","","- C43 H47 N3 O5 -","- C43 H47 N3 O5 -","- C86 H94 N6 O10 -","2","1","","Gorske, Benjamin C.; Mumford, Emily M.; Conry, Rebecca R.","Tandem Incorporation of Enantiomeric Residues Engenders Discrete Peptoid Structures.","Organic letters","2016","18","11","2780","2783","10.1021/acs.orglett.6b01283","","","0.71073","MoKα","","0.0463","0.0405","","","0.0891","0.0939","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555584","12.9668","0.0015","13.1573","0.0015","13.5181","0.0015","90","","109.297","0.001","90","","2176.7","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bcg1-109a","","","- C49 H55 N3 O6 -","- C49 H55 N3 O6 -","- C98 H110 N6 O12 -","2","1","","Gorske, Benjamin C.; Mumford, Emily M.; Conry, Rebecca R.","Tandem Incorporation of Enantiomeric Residues Engenders Discrete Peptoid Structures.","Organic letters","2016","18","11","2780","2783","10.1021/acs.orglett.6b01283","","","0.71073","MoKα","","0.052","0.0437","","","0.0981","0.104","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555585","6.5067","0.0004","10.2546","0.0007","22.3875","0.0014","90","","90","","90","","1493.77","0.17","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Kubiak, 2nd, Robert W; Mighion, Jeffrey D.; Wilkerson-Hill, Sidney M; Alford, Joshua S.; Yoshidomi, Tetsushi; Davies, Huw M. L.","Enantioselective Intermolecular C-H Functionalization of Allylic and Benzylic sp(3) C-H Bonds Using N-Sulfonyl-1,2,3-triazoles.","Organic letters","2016","18","13","3118","3121","10.1021/acs.orglett.6b01298","","","0.71073","MoKα","","0.0547","0.0469","","","0.1122","0.1193","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555586","9.8599","0.0003","11.9104","0.0004","11.9139","0.0004","61.836","0.001","72.739","0.001","86.003","0.001","1173.79","0.07","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br N O5 -","- C26 H26 Br N O5 -","- C52 H52 Br2 N2 O10 -","2","1","","Das, Saikat; Chakrabarty, Shyamal; Daniliuc, Constantin G.; Studer, Armido","Tetrahydroquinolines via Stereospecific [3 + 3]-Annulation of Donor-Acceptor Cyclopropanes with Nitrosoarenes.","Organic letters","2016","18","11","2784","2787","10.1021/acs.orglett.6b01302","","","1.54178","CuKα","","0.0395","0.0376","","","0.0884","0.0897","","","","","","1.091","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555587","8.662","0.0002","9.2342","0.0003","26.0487","0.0007","90","","90","","90","","2083.55","0.1","102","2","102","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br N O5 -","- C22 H24 Br N O5 -","- C88 H96 Br4 N4 O20 -","4","1","","Das, Saikat; Chakrabarty, Shyamal; Daniliuc, Constantin G.; Studer, Armido","Tetrahydroquinolines via Stereospecific [3 + 3]-Annulation of Donor-Acceptor Cyclopropanes with Nitrosoarenes.","Organic letters","2016","18","11","2784","2787","10.1021/acs.orglett.6b01302","","","1.54178","CuKα","","0.0225","0.0219","","","0.0553","0.0556","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555588","8.0804","0.0006","16.5626","0.001","17.4337","0.0011","82.85","0.005","78.821","0.005","77.371","0.005","2225.3","0.3","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C53.59 H49.59 Cl1.77 Cu N6 O2 -","- C53 H49 Cu N6 O2 -","- C106 H98 Cu2 N12 O4 -","2","1","","Berionni Berna, Beatrice; Nardis, Sara; Galloni, Pierluca; Savoldelli, Andrea; Stefanelli, Manuela; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","β-Pyrrolopyrazino Annulated Corroles via a Pictet-Spengler Approach.","Organic letters","2016","18","14","3318","3321","10.1021/acs.orglett.6b01314","","","1.54184","CuKα","","0.1867","0.0798","","","0.151","0.1861","","","","","","0.867","","","","has coordinates","238922","2020-10-21","18:00:00",""
"1555589","12.031","0.0011","30.509","0.003","13.9111","0.0009","90","","113.596","0.004","90","","4679.2","0.7","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Cl3 Cu N6 -","- C54 H52 Cl3 Cu N6 -","- C216 H208 Cl12 Cu4 N24 -","4","1","","Berionni Berna, Beatrice; Nardis, Sara; Galloni, Pierluca; Savoldelli, Andrea; Stefanelli, Manuela; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","β-Pyrrolopyrazino Annulated Corroles via a Pictet-Spengler Approach.","Organic letters","2016","18","14","3318","3321","10.1021/acs.orglett.6b01314","","","1.54184","CuKα","","0.1866","0.081","","","0.1779","0.227","","","","","","1","","","","has coordinates","238922","2020-10-21","18:00:00",""
"1555590","25.4929","0.0011","11.6131","0.0005","33.0447","0.0014","90","","98.807","0.002","90","","9667.6","0.7","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55.5 H50.5 Cl4.5 Cu N6 -","- C55.5 H50.5 Cl4.5 Cu N6 -","- C444 H404 Cl36 Cu8 N48 -","8","1","","Berionni Berna, Beatrice; Nardis, Sara; Galloni, Pierluca; Savoldelli, Andrea; Stefanelli, Manuela; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","β-Pyrrolopyrazino Annulated Corroles via a Pictet-Spengler Approach.","Organic letters","2016","18","14","3318","3321","10.1021/acs.orglett.6b01314","","","0.71073","MoKα","","0.0814","0.0673","","","0.1727","0.1814","","","","","","1.094","","","","has coordinates,has disorder","238922","2020-10-21","18:00:00",""
"1555591","13.3931","0.0004","9.5262","0.0003","17.8614","0.0005","90","","101.589","0.002","90","","2232.4","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H52 Cl2 O12 P2 -","- C45 H52 Cl2 O12 P2 -","- C90 H104 Cl4 O24 P4 -","2","1","","Durantie, Estelle; Huwiler, Samuel; Leroux, Jean-Christophe; Castagner, Bastien","A Chiral Phosphoramidite Reagent for the Synthesis of Inositol Phosphates.","Organic letters","2016","18","13","3162","3165","10.1021/acs.orglett.6b01374","","x-ray","1.54178","CuKα","","0.0386","0.0356","","","0.092","0.094","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555592","11.2057","0.0008","15.2204","0.0014","18.506","0.002","71.165","0.006","81.596","0.006","89.993","0.006","2951.5","0.5","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C66 H66 O12 P2 -","- C66 H64.5 O12 P2 -","- C132 H129 O24 P4 -","2","2","","Durantie, Estelle; Huwiler, Samuel; Leroux, Jean-Christophe; Castagner, Bastien","A Chiral Phosphoramidite Reagent for the Synthesis of Inositol Phosphates.","Organic letters","2016","18","13","3162","3165","10.1021/acs.orglett.6b01374","","x-ray","1.54178","CuKα","","0.1512","0.1275","","","0.2978","0.32","","","","","","1.069","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1555593","7.1867","0.0018","11.58","0.003","17.91","0.005","87.008","0.008","85.211","0.008","87.346","0.009","1482","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","sy5","","","- C27 H36 F3 N O3 S2 Si -","- C27 H36 F3 N O3 S2 Si -","- C54 H72 F6 N2 O6 S4 Si2 -","2","1","","Karmakar, Rajdip; Mamidipalli, Phani; Salzman, Ryan M.; Hong, Seongwon; Yun, Sang Young; Guo, Wei; Xia, Yuanzhi; Lee, Daesung","Benzannulation of Triynes Initiated by an Alder-Ene Reaction and Subsequent Trifluoromethylthiolate Addition.","Organic letters","2016","18","15","3530","3533","10.1021/acs.orglett.6b01443","","","0.71073","MoKα","","0.0846","0.0699","","","0.2082","0.2263","","","","","","1.508","","","","has coordinates","238924","2020-10-21","18:00:00",""
"1555594","10.7656","0.0001","8.6732","0.0001","11.0548","0.0001","90","","95.097","0.001","90","","1028.13","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","3m","(S)-2-phenyl-2-(trityloxy)acetonitrile","","- C27 H21 N O -","- C27 H21 N O -","- C54 H42 N2 O2 -","2","1","","Cioc, Răzvan C; Schuckman, Peter; Preschel, Hans D.; Vlaar, Tjøstil; Ruijter, Eelco; Orru, Romano V. A.","Brønsted Acid-Catalyzed Cyanotritylation of Aldehydes by Trityl Isocyanide.","Organic letters","2016","18","15","3562","3565","10.1021/acs.orglett.6b01481","","x-ray","1.54184","CuKα","","0.0453","0.043","","","0.1106","0.1134","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555595","26.236","0.003","8.1806","0.0011","21.79","0.003","90","","100.102","0.002","90","","4604.2","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl F3 N O4 -","- C24 H21 Cl F3 N O4 -","- C192 H168 Cl8 F24 N8 O32 -","8","1","","Zhu, Yuanyuan; Dong, Zhenghao; Cheng, Xin; Zhong, Xiaoling; Liu, Xiaolin; Lin, Li; Shen, Zhiqiang; Yang, Peiju; Li, Yuan; Wang, Hailin; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of CF3- and Indole-Containing Thiochromanes via a Squaramide-Catalyzed Michael-Aldol Reaction.","Organic letters","2016","18","15","3546","3549","10.1021/acs.orglett.6b01498","","","0.71073","MoKα","","0.0575","0.0414","","","0.1327","0.1493","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555596","10.4656","0.0003","10.4575","0.0002","26.8799","0.0005","90","","89.999","0.002","90","","2941.84","0.12","290.83","0.1","290.83","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H27 Cl F3 N O5 S -","- C31 H27 Cl F3 N O5 S -","- C124 H108 Cl4 F12 N4 O20 S4 -","4","2","","Zhu, Yuanyuan; Dong, Zhenghao; Cheng, Xin; Zhong, Xiaoling; Liu, Xiaolin; Lin, Li; Shen, Zhiqiang; Yang, Peiju; Li, Yuan; Wang, Hailin; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of CF3- and Indole-Containing Thiochromanes via a Squaramide-Catalyzed Michael-Aldol Reaction.","Organic letters","2016","18","15","3546","3549","10.1021/acs.orglett.6b01498","","x-ray","0.71073","MoKα","","0.0632","0.0451","","","0.0921","0.1043","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555597","23.324","0.008","9.264","0.003","26.981","0.009","90","","105.014","0.005","90","","5631","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C240 H304 O40 -","8","2","","Yuan, Zhenbo; Wei, Weiwei; Lin, Aijun; Yao, Hequan","Bifunctional Organo/Metal Cooperatively Catalyzed [3 + 2] Annulation of para-Quinone Methides with Vinylcyclopropanes: Approach to Spiro[4.5]deca-6,9-diene-8-ones.","Organic letters","2016","18","14","3370","3373","10.1021/acs.orglett.6b01512","","","0.71073","MoKα","","0.1266","0.0728","","","0.2076","0.2425","","","","","","1.05","","","","has coordinates","238928","2020-10-21","18:00:00",""
"1555598","24.3768","0.0013","24.3768","0.0013","7.2197","0.0005","90","","90","","120","","3715.4","0.4","150","2","150","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C19 H20 N2 O1.76 -","- C19 H20 N2 O1.76 -","- C171 H180 N18 O15.84 -","9","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.1244","0.1219","","","0.3453","0.351","","","","","","1.776","","","","has coordinates","238929","2020-10-21","18:00:00",""
"1555599","6.8328","0.0005","11.6515","0.0006","19.2975","0.0007","90","","90","","90","","1536.32","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","0.71073","MoKα","","0.0425","0.0351","","","0.0861","0.1031","","","","","","1.116","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555600","7.272","0.001","9.1963","0.0012","13.4788","0.0018","90","","101.735","0.005","90","","882.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 I N2 O -","- C19 H21 I N2 O -","- C38 H42 I2 N4 O2 -","2","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.065","0.0648","","","0.1865","0.1873","","","","","","1.127","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555601","10.3077","0.0003","7.8255","0.0002","10.6948","0.0003","90","","117.859","0.001","90","","762.69","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.043","0.043","","","0.116","0.116","","","","","","1.111","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555602","38.8089","0.0012","9.9944","0.0003","20.8313","0.0007","90","","111.915","0.001","90","","7496","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H39 N3 O4 S2 -","- C41 H39 N3 O4 S2 -","- C328 H312 N24 O32 S16 -","8","1","","Zhang, Jingyi; Zhang, Qingshuang; Xia, Biao; Wu, Jie; Wang, Xiao-Na; Chang, Junbiao","Metal-Free [2 + 2 + 2] Cycloaddition of Ynamides with Nitriles to Construct 2,4-Diaminopyridines.","Organic letters","2016","18","14","3390","3393","10.1021/acs.orglett.6b01546","","","1.54178","CuKα","","0.0651","0.0514","","","0.1672","0.1924","","","","","","0.764","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555603","6.1927","0.0007","35.576","0.004","8.386","0.0009","90","","106.723","0.002","90","","1769.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","","Shelke, Anil M.; Suryavanshi, Gurunath","Fluoride-Assisted Synthesis of 1,4,5,6-Tetrahydropyridazines via [4 + 2] Cyclodimerization of in Situ-Generated Azoalkenes Followed by a C-N Bond Cleavage.","Organic letters","2016","18","16","3968","3971","10.1021/acs.orglett.6b01551","","","0.71073","MoKα","","0.1045","0.0813","","","0.2228","0.24","","","","","","1.099","","","","has coordinates","238935","2020-10-21","18:00:00",""
"1555604","16.103","0.0017","13.8295","0.0015","31.954","0.004","90","","92.721","0.006","90","","7108","1.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H63 Cl6 N15 O3 -","- C81.998 H62.996 Cl5.998 N15 O3 -","- C327.992 H251.984 Cl23.992 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1702","0.0757","","","0.1986","0.2486","","","","","","1.048","","","","has coordinates,has disorder","238936","2020-10-21","18:00:00",""
"1555605","17.7889","0.0016","21.013","0.002","37.032","0.003","90","","102.091","0.005","90","","13535","2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H59 Cl4 N15 O3 -","- C76 H59 Cl4 N15 O3 -","- C608 H472 Cl32 N120 O24 -","8","2","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1981","0.1277","","","0.3335","0.3892","","","","","","1.013","","","","has coordinates,has disorder","238937","2020-10-21","18:00:00",""
"1555606","10.7001","0.0008","20.2403","0.0014","29.729","0.002","90","","91.17","0.004","90","","6437.2","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61.5 H54 Cl7.5 N15 O3 -","- C61.5 H54 Cl7.5 N15 O3 -","- C246 H216 Cl30 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1103","0.0838","","","0.2181","0.2374","","","","","","1.027","","","","has coordinates,has disorder","238938","2020-10-21","18:00:00",""
"1555607","16.133","0.005","13.761","0.004","32.115","0.009","90","","92.117","0.018","90","","7125","4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H52 Cl9.01 N15 O3 -","- C73.003 H52.003 Cl9.009 N15 O3 -","- C292.012 H208.012 Cl36.036 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1792","0.1047","","","0.2882","0.3751","","","","","","1.038","","","","has coordinates,has disorder","238939","2020-10-21","18:00:00",""
"1555608","21.861","0.003","15.4737","0.0018","18.6","0.002","90","","98.075","0.007","90","","6229.4","1.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H55 Cl2 N15 O3 -","- C74 H55 Cl2 N15 O3 -","- C296 H220 Cl8 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1604","0.0756","","","0.1847","0.2258","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555609","10.7998","0.001","20.2414","0.0019","29.845","0.003","90","","91.909","0.005","90","","6520.6","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.47 H59 Cl2.36 N15 O3 -","- C75.475 H59 Cl2.35 N15 O3 -","- C301.9 H236 Cl9.4 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.2334","0.1317","","","0.3508","0.4114","","","","","","1.031","","","","has coordinates,has disorder","238941","2020-10-21","18:00:00",""
"1555610","16.154","0.004","13.571","0.003","31.638","0.006","90","","90.061","0.014","90","","6936","3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H61 Cl6 N15 O3 -","- C74 H61 Cl6 N15 O3 -","- C296 H244 Cl24 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.2291","0.104","","","0.2792","0.3517","","","","","","1.041","","","","has coordinates,has disorder","238942","2020-10-21","18:00:00",""
"1555611","16.218","0.0016","13.8125","0.0012","31.653","0.003","90","","92.288","0.006","90","","7085","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H63 Cl6 N15 O3 -","- C80 H63 Cl6 N15 O3 -","- C320 H252 Cl24 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.2277","0.1265","","","0.3332","0.3891","","","","","","1.194","","","","has coordinates,has disorder","238943","2020-10-21","18:00:00",""
"1555612","16.1736","0.0017","13.7072","0.0016","31.887","0.003","90","","92.389","0.006","90","","7063","1.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H63 Cl6 N15 O3 -","- C80 H63 Cl6 N15 O3 -","- C320 H252 Cl24 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.3066","0.1179","","","0.2958","0.4008","","","","","","1.025","","","","has coordinates,has disorder","238944","2020-10-21","18:00:00",""
"1555613","10.11","0.002","21.965","0.005","27.902","0.006","99.418","0.011","94.933","0.01","90.93","0.01","6087","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56.75 H41.75 Cl8.25 N15 O3 -","- C56.75 H41.75 Cl8.25 N15 O3 -","- C227 H167 Cl33 N60 O12 -","4","2","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.1818","0.1239","","","0.363","0.4048","","","","","","1.388","","","","has coordinates,has disorder","238945","2020-10-21","18:00:00",""
"1555614","16.056","0.002","13.8514","0.0017","32.082","0.004","90","","91.878","0.007","90","","7131.1","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75 H54 Cl9 N15 O3 -","- C75 H54 Cl9 N15 O3 -","- C300 H216 Cl36 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.193","0.098","","","0.2734","0.3441","","","","","","1.075","","","","has coordinates,has disorder","238946","2020-10-21","18:00:00",""
"1555615","16.42","0.014","13.581","0.011","32.38","0.03","90","","92.96","0.03","90","","7211","11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H52.5 Cl10.5 N15 O3 -","- C71.5 H52.5 Cl10.5 N15 O3 -","- C286 H210 Cl42 N60 O12 -","4","1","","Samanta, Jayanta; Natarajan, Ramalingam","Cofacial Organic Click Cage to Intercalate Polycyclic Aromatic Hydrocarbons.","Organic letters","2016","18","14","3394","3397","10.1021/acs.orglett.6b01554","","","0.71073","MoKα","","0.2592","0.0853","","","0.2148","0.2908","","","","","","0.882","","","","has coordinates,has disorder","238947","2020-10-21","18:00:00",""
"1555616","9.7462","0.0004","17.2319","0.0007","23.8323","0.001","90","","90","","90","","4002.5","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C49 H25 F9 -","- C49 H25 F9 -","- C196 H100 F36 -","4","1","","Rao, M. Rajeswara; Johnson, Shea; Perepichka, Dmitrii F.","Aromatization of Benzannulated Perylene-3,9-diones: Unexpected Photophysical Properties and Reactivity.","Organic letters","2016","18","15","3574","3577","10.1021/acs.orglett.6b01559","","x-ray","1.34139","GaKα","","0.0678","0.0528","","","0.1382","0.1454","","","","","","1.065","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555617","9.7084","0.0003","15.1043","0.0009","16.6406","0.0008","90","","90","","90","","2440.2","0.2","101","","101","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pegaharmine A","","","- C26 H30 N4 O5 -","- C26 H30 N4 O5 -","- C104 H120 N16 O20 -","4","1","","Wang, Kai-Bo; Li, Da-Hong; Hu, Ping; Wang, Wen-Jing; Lin, Clement; Wang, Jian; Lin, Bin; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Li, Zhan-Lin; Yang, Danzhou; Hua, Hui-Ming","A Series of β-Carboline Alkaloids from the Seeds of Peganum harmala Show G-Quadruplex Interactions.","Organic letters","2016","18","14","3398","3401","10.1021/acs.orglett.6b01560","","","1.5418","CuKα","","0.0436","0.0402","","","0.0954","0.0982","","","","","","1.039","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555618","9.7136","0.0005","8.3719","0.0005","16.672","0.0009","90","","97.5683","0.0013","90","","1343.98","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H3 I O2 -","- C6 H3 I O2 -","- C48 H24 I8 O16 -","8","2","","Jardim, Guilherme A. M.; Bower, John F.; da Silva Júnior, Eufrânio N","Rh-Catalyzed Reactions of 1,4-Benzoquinones with Electrophiles: C-H Iodination, Bromination, and Phenylselenation.","Organic letters","2016","18","18","4454","4457","10.1021/acs.orglett.6b01586","","","0.71073","MoKα","","0.0279","0.0203","","","0.0412","0.0435","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555619","8.0841","0.0002","14.9751","0.0003","6.2629","0.0001","90","","90","","90","","758.19","0.03","100","","100.02","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C28 H20 I4 O12 -","4","1","","Jardim, Guilherme A. M.; Bower, John F.; da Silva Júnior, Eufrânio N","Rh-Catalyzed Reactions of 1,4-Benzoquinones with Electrophiles: C-H Iodination, Bromination, and Phenylselenation.","Organic letters","2016","18","18","4454","4457","10.1021/acs.orglett.6b01586","","","0.71073","MoKα","","0.0189","0.015","","","0.0305","0.0316","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555620","7.8829","0.0002","8.6055","0.0002","18.1935","0.0004","90","","96.7142","0.0013","90","","1225.72","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 Se -","- C16 H10 O2 Se -","- C64 H40 O8 Se4 -","4","1","","Jardim, Guilherme A. M.; Bower, John F.; da Silva Júnior, Eufrânio N","Rh-Catalyzed Reactions of 1,4-Benzoquinones with Electrophiles: C-H Iodination, Bromination, and Phenylselenation.","Organic letters","2016","18","18","4454","4457","10.1021/acs.orglett.6b01586","","","0.71073","MoKα","","0.0229","0.0192","","","0.0495","0.0506","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555621","17.814","0.0004","9.6903","0.0002","23.0455","0.0005","90","","90","","90","","3978.18","0.15","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N -","- C26 H23 N -","- C208 H184 N8 -","8","1","","Li, Nan; Lian, Xiao-Lei; Li, Yu-Hui; Wang, Tian-Yi; Han, Zhi-Yong; Zhang, Liming; Gong, Liu-Zhu","Gold-Catalyzed Direct Assembly of Aryl-Annulated Carbazoles from 2-Alkynyl Arylazides and Alkynes.","Organic letters","2016","18","17","4178","4181","10.1021/acs.orglett.6b01627","","","1.54184","CuKα","","0.0953","0.0725","","","0.1737","0.1929","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555622","5.5711","0.0002","6.5999","0.0002","40.0657","0.0012","90","","90","","90","","1473.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C76 H60 N4 O4 S4 -","4","1","","Ahlemeyer, Nicholas A.; Birman, Vladimir B.","Asymmetric Catalytic Synthesis of Thiochromenes via an Acyl Transfer-Initiated Cascade.","Organic letters","2016","18","14","3454","3457","10.1021/acs.orglett.6b01639","","","0.71073","MoKα","","0.0335","0.0317","","","0.0832","0.0841","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555623","7.9418","0.0008","9.0278","0.0009","28.012","0.003","90","","90","","90","","2008.4","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0369","0.0346","","","0.0875","0.0891","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555624","9.4038","0.001","23.797","0.003","9.9633","0.0011","90","","90.656","0.002","90","","2229.5","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O4 -","- C26 H34 O4 -","- C104 H136 O16 -","4","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0441","0.0394","","","0.0963","0.0992","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555625","8.352","0.0009","14.9946","0.0017","40.87","0.005","90","","90","","90","","5118.4","1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C224 H304 O64 -","8","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0593","0.0463","","","0.1112","0.1193","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555626","7.4728","0.0007","11.6974","0.0011","33.552","0.003","90","","90","","90","","2932.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O8 -","- C31 H46 O8 -","- C124 H184 O32 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0685","0.0621","","","0.1857","0.1916","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555627","7.6253","0.001","11.8707","0.0016","16.229","0.002","90","","90.932","0.002","90","","1468.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Cl2 O8 -","- C29 H40 Cl2 O8 -","- C58 H80 Cl4 O16 -","2","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0368","0.0318","","","0.0822","0.0849","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555628","13.3481","0.0011","15.278","0.0013","36.973","0.003","90","","90","","90","","7540","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O7 -","- C28 H40 O7 -","- C336 H480 O84 -","12","3","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0528","0.0429","","","0.0984","0.1037","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555629","9.3211","0.0016","11.4032","0.0019","26.089","0.004","90","","90","","90","","2773","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O9 -","- C28 H44 O9 -","- C112 H176 O36 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0532","0.0383","","","0.0921","0.0984","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555630","26.073","0.006","7.8003","0.0019","29.094","0.007","90","","91.171","0.004","90","","5916","2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H40 O9 -","- C28 H38 O9 -","- C224 H304 O72 -","8","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.1352","0.1209","","","0.3218","0.3308","","","","","","1.072","","","","has coordinates","238962","2020-10-21","18:00:00",""
"1555631","6.2298","0.0014","12.745","0.003","12.605","0.003","90","","99.799","0.003","90","","986.2","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C48 H60 O6 -","2","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0496","0.0415","","","0.1064","0.1118","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555632","12.5299","0.0004","11.0917","0.0004","15.3671","0.0006","90","","90","","90","","2135.69","0.13","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","1","","Patzelt, Christoph; Pöthig, Alexander; Gulder, Tanja","Iodine(III)-Catalyzed Cascade Reactions Enabling a Direct Access to β-Lactams and α-Hydroxy-β-amino Acids.","Organic letters","2016","18","14","3466","3469","10.1021/acs.orglett.6b01658","","x-ray","0.71073","MoKα","","0.053","0.0399","","","0.0968","0.1045","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555633","5.767","0.0008","26.604","0.004","17.464","0.002","90","","96.051","0.002","90","","2664.5","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H32 N2 O2 Pt -","- C33 H32 N2 O2 Pt -","- C132 H128 N8 O8 Pt4 -","4","1","","Saris, Patrick J. G.; Thompson, Mark E.","Gram Scale Synthesis of Benzophenanthroline and Its Blue Phosphorescent Platinum Complex.","Organic letters","2016","18","16","3960","3963","10.1021/acs.orglett.6b01693","","","0.71073","MoKα","","0.0499","0.0349","","","0.056","0.0592","","","","","","0.967","","","","has coordinates","238965","2020-10-21","18:00:00",""
"1555634","9.5057","0.0005","14.8773","0.0007","11.4295","0.0006","90","","110.562","0.001","90","","1513.38","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Saris, Patrick J. G.; Thompson, Mark E.","Gram Scale Synthesis of Benzophenanthroline and Its Blue Phosphorescent Platinum Complex.","Organic letters","2016","18","16","3960","3963","10.1021/acs.orglett.6b01693","","","0.71073","MoKα","","0.0572","0.0429","","","0.1121","0.1232","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555635","9.01057","0.00016","10.9727","0.0002","17.5326","0.0004","90","","90","","90","","1733.45","0.06","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Tokuda, Ryoko; Okamoto, Yoshiki; Koyama, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Kopsiyunnanine K, a Monoterpenoid Indole Alkaloid with a Rearranged Skeleton.","Organic letters","2016","18","14","3490","3493","10.1021/acs.orglett.6b01704","","","1.54187","CuKα","","","0.0345","","","","0.0793","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555636","12.558","0.004","14.18","0.004","26.385","0.008","90","","102.72","0.005","90","","4583","2","93","","93","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 -","- C35 H22 -","- C280 H176 -","8","2","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","0.71075","MoKα","","0.0985","0.0817","","","0.1464","0.154","","","","","","1.257","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555637","13.816","0.002","13.862","0.003","19.248","0.004","90","","90","","90","","3686.3","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","0.71075","MoKα","","0.0439","0.0394","","","0.1259","0.1324","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555638","9.8499","0.0002","11.1882","0.0002","24.6237","0.0004","90","","90","","90","","2713.6","0.09","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C41 H26 -","- C41 H26 -","- C164 H104 -","4","1","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","1.54187","CuKα","","0.1146","0.0758","","","0.1882","0.2675","","","","","","1.777","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555639","15.3059","0.0008","12.1881","0.0006","9.628","0.0006","90","","90","","90","","1796.1","0.17","293.6","0.1","293.6","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Chen, Si; Wu, Xin-Xing; Wang, Jia; Hao, Xin-Hua; Xia, Yu; Shen, Yi; Jing, Huanwang; Liang, Yong-Min","Palladium-Catalyzed Intramolecular Dearomatization of Indoles via Decarboxylative Alkynyl Termination.","Organic letters","2016","18","16","4016","4019","10.1021/acs.orglett.6b01711","","x-ray","0.71073","MoKα","","0.0727","0.0499","","","0.105","0.122","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555640","8.0776","0.0015","24.432","0.005","11.904","0.002","90","","108.916","0.004","90","","2222.4","0.7","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 N2 O4.5 S -","- C22 H29 N2 O4.5 S -","- C88 H116 N8 O18 S4 -","4","2","","Lan, Xiaoyu; Tao, Chuangan; Liu, Xuliang; Zhang, Aina; Zhao, Baoguo","Asymmetric Transamination of α-Keto Acids Catalyzed by Chiral Pyridoxamines.","Organic letters","2016","18","15","3658","3661","10.1021/acs.orglett.6b01714","","","0.71073","MoKα","","0.0772","0.0684","","","0.1828","0.1903","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555641","11.9912","0.0007","15.1463","0.0007","9.459","0.0006","90","","111.614","0.007","90","","1597.17","0.17","170.2","","170.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F N2 O3 S -","- C17 H15 F N2 O3 S -","- C68 H60 F4 N8 O12 S4 -","4","1","","Qian, Jing; Sheng, Guorong; Huang, Kai; Liu, Shaojie; Lu, Ping; Wang, Yanguang","α-Amidino Rhodium Carbenes: Key Intermediates for the Preparation of (E)-2-Aminomethylene-3-oxoindoles and Pyranoindoles.","Organic letters","2016","18","15","3682","3685","10.1021/acs.orglett.6b01728","","","0.71073","MoKα","","0.0679","0.0514","","","0.135","0.1483","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555642","5.5675","0.0005","8.631","0.0006","19.5676","0.0016","77.417","0.006","83.698","0.007","82.645","0.006","906.89","0.13","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O3 S -","- C20 H20 N2 O3 S -","- C40 H40 N4 O6 S2 -","2","1","","Qian, Jing; Sheng, Guorong; Huang, Kai; Liu, Shaojie; Lu, Ping; Wang, Yanguang","α-Amidino Rhodium Carbenes: Key Intermediates for the Preparation of (E)-2-Aminomethylene-3-oxoindoles and Pyranoindoles.","Organic letters","2016","18","15","3682","3685","10.1021/acs.orglett.6b01728","","","0.71073","MoKα","","0.0778","0.0545","","","0.1337","0.1507","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555643","7.3603","0.0003","7.543","0.0004","17.2163","0.0009","87.384","0.005","86.032","0.004","74.912","0.005","920.29","0.08","170.1","","170.1","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 O4 S -","- C21 H18 N2 O4 S -","- C42 H36 N4 O8 S2 -","2","1","","Qian, Jing; Sheng, Guorong; Huang, Kai; Liu, Shaojie; Lu, Ping; Wang, Yanguang","α-Amidino Rhodium Carbenes: Key Intermediates for the Preparation of (E)-2-Aminomethylene-3-oxoindoles and Pyranoindoles.","Organic letters","2016","18","15","3682","3685","10.1021/acs.orglett.6b01728","","","0.71073","MoKα","","0.0547","0.0422","","","0.1036","0.1145","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555644","14.438","0.0005","8.4217","0.0003","17.3621","0.0006","90","","93.541","0.002","90","","2107.07","0.13","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F4 N2 O2 Zn -","- C20 H26 F4 N2 O2 Zn -","- C80 H104 F16 N8 O8 Zn4 -","4","1","","Aikawa, Kohsuke; Serizawa, Hiroki; Ishii, Koki; Mikami, Koichi","Palladium-Catalyzed Negishi Cross-Coupling Reaction of Aryl Halides with (Difluoromethyl)zinc Reagent.","Organic letters","2016","18","15","3690","3693","10.1021/acs.orglett.6b01734","","","1.54178","CuKα","","0.039","0.0306","","","0.0722","0.0759","","","","","","1.039","","","","has coordinates","238976","2020-10-21","18:00:00",""
"1555645","5.0975","0.0001","10.807","0.0001","40.2707","0.0004","90","","90","","90","","2218.46","0.05","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C112 H116 N4 O8 -","4","1","","Li, Wenbo; Yu, Xiuzhao; Yue, Zhenting; Zhang, Junliang","Asymmetric Construction of 2,3-Dihydroisoxazoles via an Organocatalytic Formal [3 + 2] Cycloaddition of Enynes with N-Hydroxylamines.","Organic letters","2016","18","16","3972","3975","10.1021/acs.orglett.6b01737","","","1.54178","CuKα","","0.0308","0.0303","","","0.0782","0.0787","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555646","7.2743","0.0005","10.1737","0.0007","32.241","0.002","90","","90","","90","","2386","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl2 O6 -","- C27 H22 Cl2 O6 -","- C108 H88 Cl8 O24 -","4","1","","Ashtekar, Kumar Dilip; Ding, Xinliang; Toma, Edmond; Sheng, Wei; Gholami, Hadi; Rahn, Christopher; Reed, Paul; Borhan, Babak","Mechanistically Inspired Route toward Hexahydro-2H-chromenes via Consecutive [4 + 2] Cycloadditions.","Organic letters","2016","18","16","3976","3979","10.1021/acs.orglett.6b01742","","","0.71073","MoKα","","0.0719","0.0462","","","0.1005","0.1237","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555647","10.9256","0.0004","14.7077","0.0004","19.6645","0.0008","90","","90","","90","","3159.9","0.19","173","2","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl4 O8 -","- C31 H32 Cl4 O8 -","- C124 H128 Cl16 O32 -","4","1","","Ashtekar, Kumar Dilip; Ding, Xinliang; Toma, Edmond; Sheng, Wei; Gholami, Hadi; Rahn, Christopher; Reed, Paul; Borhan, Babak","Mechanistically Inspired Route toward Hexahydro-2H-chromenes via Consecutive [4 + 2] Cycloadditions.","Organic letters","2016","18","16","3976","3979","10.1021/acs.orglett.6b01742","","","1.54178","CuKα","","0.0953","0.0631","","","0.1459","0.1646","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555648","14.246","0.015","9.001","0.009","14.506","0.014","90","","89.933","0.012","90","","1860","3","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H7 B F2 N2 O -","- C10 H7 B F2 N2 O -","- C80 H56 B8 F16 N16 O8 -","8","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Rhodium-Catalyzed C6-Selective C-H Borylation of 2-Pyridones.","Organic letters","2016","18","15","3742","3745","10.1021/acs.orglett.6b01762","","","0.71075","MoKα","","","0.0513","","","","0.105","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555649","10.4857","0.0015","10.8482","0.001","14.0338","0.0011","70.4935","0.001","89.135","0.016","89.14","0.02","1504.5","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 B N2 O3 -","- C16 H19 B N2 O3 -","- C64 H76 B4 N8 O12 -","4","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Rhodium-Catalyzed C6-Selective C-H Borylation of 2-Pyridones.","Organic letters","2016","18","15","3742","3745","10.1021/acs.orglett.6b01762","","","0.71075","MoKα","","","0.0581","","","","0.1459","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555650","8.41","0.01","11.941","0.014","13.209","0.016","74.04","0.02","89.25","0.03","85.17","0.03","1271","3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Rhodium-Catalyzed C6-Selective C-H Borylation of 2-Pyridones.","Organic letters","2016","18","15","3742","3745","10.1021/acs.orglett.6b01762","","","0.71075","MoKα","","","0.0753","","","","0.1707","","","","","","0.981","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555651","8.5007","0.0009","10.25","0.0012","11.2985","0.0015","75.804","0.01","70.345","0.011","81.631","0.009","896.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 F N O4 S -","- C17 H20 F N O4 S -","- C34 H40 F2 N2 O8 S2 -","2","1","","Chang, Jian; Liu, Bangyu; Yang, Yang; Wang, Mang","Pd-Catalyzed C-S Activation/Isocyanide Insertion/Hydrogenation Enables a Selective Aerobic Oxidation/Cyclization.","Organic letters","2016","18","16","3984","3987","10.1021/acs.orglett.6b01780","","","0.71073","MoKα","","0.0749","0.0532","","","0.1305","0.1505","","","","","","1.024","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555652","8.4205","0.0009","19.329","0.002","10.1617","0.0011","90","","103.506","0.002","90","","1608.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Wu, An-Xin","Transition-Metal-Free Coupling Annulation of Arynes with Ketones and Alkynoates: Assembly of Functionalized Naphthalenes.","Organic letters","2016","18","15","3762","3765","10.1021/acs.orglett.6b01782","","","0.71073","MoKα","","0.0592","0.0438","","","0.1318","0.1468","","","","","","1.081","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555653","5.6316","0.0004","8.8731","0.0006","13.3605","0.0007","76.69","0.003","87.767","0.003","85.418","0.003","647.47","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C28 H26 N6 O2 S2 -","2","1","","Bongers, Amanda; Ranasinghe, Indee; Lemire, Philippe; Perozzo, Alyssa; Vincent-Rocan, Jean-François; Beauchemin, André M","Synthesis of Cyclic Azomethine Imines by Cycloaddition Reactions of N-Isocyanates and N-Isothiocyanates.","Organic letters","2016","18","15","3778","3781","10.1021/acs.orglett.6b01788","","","0.71073","MoKα","","0.0602","0.0415","","","0.1131","0.1199","","","","","","1.055","","","","has coordinates","238985","2020-10-21","18:00:00",""
"1555654","9.9759","0.0002","13.6806","0.0003","17.6508","0.0004","109.19","0.0019","96.4682","0.0017","98.2575","0.0016","2218.3","0.09","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H28 O3 -","- C27 H28 O3 -","- C108 H112 O12 -","4","2","","Nugent, Jeremy; Banwell, Martin G.; Schwartz, Brett D.","Total Synthesis of the Illicium-Derived Sesquineolignan Simonsol C.","Organic letters","2016","18","15","3798","3801","10.1021/acs.orglett.6b01799","","","1.54184","CuKα","","0.0607","0.0522","","0.1428","0.1343","0.1428","","","","","","0.9906","","","","has coordinates","238986","2020-10-21","18:00:00",""
"1555655","28.619","0.003","13.5049","0.0014","11.3279","0.0011","90","","101.05","0.002","90","","4297","0.8","123","2","123","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C36 H18 -","- C36 H18 -","- C288 H144 -","8","2","","Fujikawa, Takao; Preda, Dorin V.; Segawa, Yasutomo; Itami, Kenichiro; Scott, Lawrence T.","Corannulene-Helicene Hybrids: Chiral π-Systems Comprising Both Bowl and Helical Motifs.","Organic letters","2016","18","16","3992","3995","10.1021/acs.orglett.6b01801","","","0.71075","MoKα","","0.0406","0.033","","","0.0811","0.0893","","","","","","1.047","","","","has coordinates","238987","2020-10-21","18:00:00",""
"1555656","15.924","0.003","5.6656","0.0011","18.306","0.004","90","","114.74","0.03","90","","1500","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br F3 O -","- C16 H12 Br F3 O -","- C64 H48 Br4 F12 O4 -","4","1","","Zhu, Chuanle; Chen, Pengquan; Wu, Wanqing; Qi, Chaorong; Ren, Yanwei; Jiang, Huanfeng","Transition-Metal-Free Diastereoselective Epoxidation of Trifluoromethylketones with N-Tosylhydrazones: Access to Tetrasubstituted Trifluoromethylated Oxiranes.","Organic letters","2016","18","16","4008","4011","10.1021/acs.orglett.6b01824","","","0.71073","MoKα","","0.0989","0.0587","","","0.1545","0.2007","","","","","","0.977","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555657","19.793","0.004","22.357","0.005","32.252","0.007","90","","92.9","0.03","90","","14254","5","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H188 Cd1.5 Cl4 N60 O79 -","- C90 H90 Cd1.572 Cl4 N60 O32 -","- C360 H360 Cd6.288 Cl16 N240 O128 -","4","1","","Li, Qing; Qiu, Sheng-Chao; Zhang, Jing; Chen, Kai; Huang, Ying; Xiao, Xin; Zhang, Yingjie; Li, Feng; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Twisted Cucurbit[n]urils.","Organic letters","2016","18","16","4020","4023","10.1021/acs.orglett.6b01842","","","0.71073","silicondoublecrystalmonochromatedsynchrotron","","0.1276","0.0929","","","0.2599","0.2824","","","","","","1.06","","","","has coordinates","238989","2020-10-21","18:00:00",""
"1555658","18.217","0.004","52.952","0.011","17.532","0.004","90","","110.13","0.03","90","","15879","7","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C156 H286 Cd7 Cl20 Dy2 N104 O133 -","- C156 H156 Cd7 Cl20 Dy2 N104 O68 -","- C312 H312 Cd14 Cl40 Dy4 N208 O136 -","2","0.5","","Li, Qing; Qiu, Sheng-Chao; Zhang, Jing; Chen, Kai; Huang, Ying; Xiao, Xin; Zhang, Yingjie; Li, Feng; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Twisted Cucurbit[n]urils.","Organic letters","2016","18","16","4020","4023","10.1021/acs.orglett.6b01842","","","0.71073","silicondoublecrystalmonochromatedsynchrotron","","0.1117","0.1048","","","0.2967","0.3015","","","","","","1.069","","","","has coordinates","238990","2020-10-21","18:00:00",""
"1555659","6.9891","0.0006","17.3736","0.0017","8.347","0.0008","90","","105.219","0.003","90","","978","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C42 H44 O14 -","2","1","","Zhou, Jinchuan; Zhang, Jiaozhen; Li, Ruijuan; Liu, Jun; Fan, Peihong; Li, Yi; Ji, Mei; Dong, Yiwen; Yuan, Huiqing; Lou, Hongxiang","Hapmnioides A-C, Rearranged Labdane-Type Diterpenoids from the Chinese Liverwort Haplomitrium mnioides.","Organic letters","2016","18","17","4274","4276","10.1021/acs.orglett.6b01854","","","1.54178","CuKα","","0.0517","0.044","","","0.1105","0.1174","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555660","10.2949","0.0004","10.4128","0.0005","16.2831","0.0007","90","","90","","90","","1745.53","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Zhou, Jinchuan; Zhang, Jiaozhen; Li, Ruijuan; Liu, Jun; Fan, Peihong; Li, Yi; Ji, Mei; Dong, Yiwen; Yuan, Huiqing; Lou, Hongxiang","Hapmnioides A-C, Rearranged Labdane-Type Diterpenoids from the Chinese Liverwort Haplomitrium mnioides.","Organic letters","2016","18","17","4274","4276","10.1021/acs.orglett.6b01854","","","1.54178","CuKα","","0.0529","0.0436","","","0.0989","0.1071","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555661","11.2411","0.0008","11.9761","0.0009","19.9127","0.0014","100.2","0.006","94.644","0.006","113.781","0.007","2379.6","0.3","289.7","0.8","289.7","0.8","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O -","- C31 H26 O -","- C124 H104 O4 -","4","2","","Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Li, Xue-Song; Zhang, Heng-Rui; Zhu, Xin-Yu; Liu, Xue-Yuan; Liang, Yong-Min","Lewis Acid Catalyzed Cyclization of Propargylic Alcohols with 2-Vinylphenol.","Organic letters","2016","18","15","3866","3869","10.1021/acs.orglett.6b01875","","x-ray","0.71","MoKα","","0.1852","0.0728","","","0.1406","0.2031","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555662","4.0802","0.0008","11.717","0.003","15.719","0.003","92.244","0.018","94.916","0.016","98.11","0.018","740.2","0.3","293.64","0.1","293.64","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 Cl N2 -","- C19 H13 Cl N2 -","- C38 H26 Cl2 N4 -","2","1","","Mou, Xue-Qing; Xu, Zheng-Liang; Xu, Li; Wang, Shao-Hua; Zhang, Bang-Hong; Zhang, Di; Wang, Jie; Liu, Wei-Ting; Bao, Wen","The Synthesis of Multisubstituted Pyrroles via a Copper-Catalyzed Tandem Three-Component Reaction.","Organic letters","2016","18","16","4032","4035","10.1021/acs.orglett.6b01883","","x-ray","0.71073","MoKα","","0.0959","0.0584","","","0.1109","0.1382","","","","","","1.054","","","","has coordinates","300101","2025-06-17","17:58:11",""
"1555663","9.834","0.002","10.604","0.003","16.861","0.004","85.889","0.007","78.666","0.006","81.528","0.006","1703.5","0.7","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cl2 N4 P2 Ru -","- C35 H40 Cl2 N4 P2 Ru -","- C70 H80 Cl4 N8 P4 Ru2 -","2","1","","Ogata, Osamu; Nakayama, Yuji; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito","Atmospheric Hydrogenation of Esters Catalyzed by PNP-Ruthenium Complexes with an N-Heterocyclic Carbene Ligand.","Organic letters","2016","18","15","3894","3897","10.1021/acs.orglett.6b01900","","","0.71075","MoKα","","","0.0369","","","","0.0958","","","","","","1","","","","has coordinates","238995","2020-10-21","18:00:00",""
"1555664","19.082","0.005","19.769","0.005","29.22","0.008","90.481","0.004","100.258","0.003","92.601","0.004","10834","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H72.78 Br8 Cl10.5 O15.5 -","- C100 H73.788 Br8 Cl10.5 O15.5 -","- C400 H295.152 Br32 Cl42 O62 -","4","2","","Hillyer, Matthew B.; Gibb, Corinne L. D.; Sokkalingam, Punidha; Jordan, Jacobs H.; Ioup, Sarah E.; Mague, Joel T.; Gibb, Bruce C.","Synthesis of Water-Soluble Deep-Cavity Cavitands.","Organic letters","2016","18","16","4048","4051","10.1021/acs.orglett.6b01903","","","0.71073","MoKα","","0.25","0.1494","","","0.3563","0.3799","","","","","","1.822","","","","has coordinates,has disorder","238996","2020-10-21","18:00:00",""
"1555665","6.3412","0.0001","17.9097","0.0001","23.6648","0.0001","90","","90","","90","","2687.59","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0351","0.0347","","","0.0953","0.0957","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555666","9.6502","0.0003","13.9527","0.0006","31.7405","0.001","90","","90","","90","","4273.7","0.3","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H68 O6 -","- C45 H68 O6 -","- C180 H272 O24 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0804","0.0546","","","0.1469","0.1857","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555667","11.1615","0.0002","15.7291","0.0002","16.8829","0.0003","90","","105.689","0.002","90","","2853.54","0.09","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","2","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0466","0.0447","","","0.1257","0.1309","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555668","9.9104","0.0001","10.8418","0.0001","26.6369","0.0002","90","","90","","90","","2862.04","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0769","0.0714","","","0.1541","0.1573","","","","","","1.041","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555669","11.9618","0.0001","20.1271","0.0002","23.2612","0.0003","90","","90","","90","","5600.28","0.1","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","2","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0447","0.0425","","","0.1176","0.1206","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555670","20.6774","0.0002","5.6019","0.0001","25.4783","0.0002","90","","90.3838","0.0008","90","","2951.15","0.06","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C57 H77 Cl3 O22 -","- C57 H77 Cl3 O22 -","- C114 H154 Cl6 O44 -","2","1","","Ma, Xiang; Bolte, Benoit; Banwell, Martin G.; Willis, Anthony C.","Total Syntheses of the Resorcylic Acid Lactones Paecilomycin F and Cochliomycin C Using an Intramolecular Loh-Type α-Allylation Reaction for Macrolide Formation.","Organic letters","2016","18","17","4226","4229","10.1021/acs.orglett.6b01963","","","1.54184","CuKα","","0.0432","0.0413","","0.1171","0.1155","0.1171","","","","","","1.0219","","","","has coordinates","288308","2023-12-14","13:15:21",""
"1555671","16.1117","0.0002","9.544","0.0001","19.5581","0.0003","90","","111.371","0.001","90","","2800.66","0.07","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O2 Si2 -","- C31 H34 O2 Si2 -","- C124 H136 O8 Si8 -","4","1","","Rivera-Hernández, Alejandro; Fallon, Brendan J.; Ventre, Sandrine; Simon, Cédric; Tremblay, Marie-Hélène; Gontard, Geoffrey; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Petit, Marc","Regio- and Stereoselective Hydrosilylation of Unsymmetrical Alkynes Catalyzed by a Well-Defined, Low-Valent Cobalt Catalyst.","Organic letters","2016","18","17","4242","4245","10.1021/acs.orglett.6b01987","","","0.71073","MoKα","","0.0539","0.0389","","","0.1088","0.1248","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555672","9.1784","0.0002","9.8895","0.0002","17.0426","0.0004","95.596","0.002","105.569","0.002","90.183","0.002","1482.39","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 O Si2 -","- C34 H34 O Si2 -","- C68 H68 O2 Si4 -","2","1","","Rivera-Hernández, Alejandro; Fallon, Brendan J.; Ventre, Sandrine; Simon, Cédric; Tremblay, Marie-Hélène; Gontard, Geoffrey; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Petit, Marc","Regio- and Stereoselective Hydrosilylation of Unsymmetrical Alkynes Catalyzed by a Well-Defined, Low-Valent Cobalt Catalyst.","Organic letters","2016","18","17","4242","4245","10.1021/acs.orglett.6b01987","","","0.71073","MoKα","","0.0494","0.0437","","","0.109","0.1154","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555673","14.788","0.0003","10.1322","0.0002","18.5936","0.0004","90","","106.521","0.002","90","","2670.95","0.1","200","1","200","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Si -","- C34 H30 Si -","- C136 H120 Si4 -","4","1","","Rivera-Hernández, Alejandro; Fallon, Brendan J.; Ventre, Sandrine; Simon, Cédric; Tremblay, Marie-Hélène; Gontard, Geoffrey; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Petit, Marc","Regio- and Stereoselective Hydrosilylation of Unsymmetrical Alkynes Catalyzed by a Well-Defined, Low-Valent Cobalt Catalyst.","Organic letters","2016","18","17","4242","4245","10.1021/acs.orglett.6b01987","","","0.71073","MoKα","","0.0553","0.0416","","","0.1075","0.1193","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555674","10.203","0.002","12.287","0.003","14.177","0.003","90","","90.025","0.003","90","","1777.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 B Br O3 -","- C17 H24 B Br O3 -","- C68 H96 B4 Br4 O12 -","4","2","","Xie, Jian-Bo; Lin, Siqi; Qiao, Shuo; Li, Guigen","Asymmetric Catalytic Enantio- and Diastereoselective Boron Conjugate Addition Reactions of α-Functionalized α,β-Unsaturated Carbonyl Substrates.","Organic letters","2016","18","15","3926","3929","10.1021/acs.orglett.6b01998","","","0.71073","MoKα","","0.0327","0.0322","","","0.0789","0.0792","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555675","9.1643","0.0018","8.51","0.0017","18.787","0.004","90","","97.46","0.03","90","","1452.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 F4 N3 -","- C15 H17 F4 N3 -","- C60 H68 F16 N12 -","4","1","","Shmatova, Olga I.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","From Cyclic CF3-ketimines to a Family of Trifluoromethylated Nazlinine and Trypargine Analogues.","Organic letters","2016","18","18","4494","4497","10.1021/acs.orglett.6b02031","","","0.9699","synchrotron","","0.0621","0.0512","","","0.1263","0.1376","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555676","7.1533","0.0015","10.925","0.002","12.115","0.003","75.115","0.003","77.43","0.003","81.256","0.003","888.4","0.3","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H25 N -","- C23 H25 N -","- C46 H50 N2 -","2","1","","Morrison, Alec E.; Hrudka, Jeremy J.; Dudley, Gregory B.","Thermal Cycloisomerization of Putative Allenylpyridines for the Synthesis of Isoquinoline Derivatives.","Organic letters","2016","18","16","4104","4107","10.1021/acs.orglett.6b02034","","","0.71073","MoKα","","0.1067","0.057","","","0.1558","0.1898","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555677","6.7657","0.0002","12.1602","0.0003","16.0507","0.0004","90","","90","","90","","1320.53","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Mondal, Mukulesh; Wheeler, Kraig A.; Kerrigan, Nessan J.","Alkaloid-Catalyzed Enantioselective [3 + 2] Cycloaddition of Ketenes and Azomethine Imines.","Organic letters","2016","18","16","4108","4111","10.1021/acs.orglett.6b02038","","","1.54178","CuKα","","0.0275","0.0261","","","0.0692","0.0702","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555678","6.7037","0.0002","8.7886","0.0002","21.923","0.0007","90","","90","","90","","1291.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Mondal, Mukulesh; Wheeler, Kraig A.; Kerrigan, Nessan J.","Alkaloid-Catalyzed Enantioselective [3 + 2] Cycloaddition of Ketenes and Azomethine Imines.","Organic letters","2016","18","16","4108","4111","10.1021/acs.orglett.6b02038","","","1.54178","CuKα","","0.0294","0.0282","","","0.0713","0.072","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555679","5.9791","0.0004","10.7506","0.0009","17.3037","0.0015","73.509","0.007","81.064","0.006","73.991","0.006","1021.56","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl O3 S -","- C24 H19 Cl O3 S -","- C48 H38 Cl2 O6 S2 -","2","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Solvent-Controlled, Tunable Hydrosulfonylation of 3-Cyclopropylideneprop-2-en-1-ones.","Organic letters","2016","18","17","4292","4295","10.1021/acs.orglett.6b02047","","","0.71073","MoKα","","0.0754","0.0468","","","0.0914","0.1084","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555680","16.1137","0.0008","6.3712","0.0003","38.874","0.003","90","","92.022","0.006","90","","3988.5","0.4","171.3","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O3 S -","- C24 H20 O3 S -","- C192 H160 O24 S8 -","8","2","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Solvent-Controlled, Tunable Hydrosulfonylation of 3-Cyclopropylideneprop-2-en-1-ones.","Organic letters","2016","18","17","4292","4295","10.1021/acs.orglett.6b02047","","","0.71073","MoKα","","0.0758","0.0542","","","0.0992","0.1104","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555681","9.4486","0.0003","11.0765","0.0003","16.057","0.0005","73.497","0.002","87.912","0.002","72.63","0.002","1535.63","0.08","100","2","100.15","","","","","","","","","6","P 1","P 1","1","","","","- C27.5 H23.5 Br Cl1.5 N2 O8 -","- C27.5 H23.5 Br Cl1.5 N2 O8 -","- C55 H47 Br2 Cl3 N4 O16 -","2","2","","Bender, Trandon A.; Dabrowski, Jennifer A.; Zhong, Hongyu; Gagné, Michel R","Diastereoselective B(C6F5)3-Catalyzed Reductive Carbocyclization of Unsaturated Carbohydrates.","Organic letters","2016","18","16","4120","4123","10.1021/acs.orglett.6b02050","","","1.54178","CuKα","","0.0549","0.0462","","","0.1161","0.1215","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555682","5.804","0.0002","7.1933","0.0002","15.2241","0.0005","90","","94.904","0.001","90","","633.28","0.03","100.15","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17 Br O3 -","- C13 H17 Br O3 -","- C26 H34 Br2 O6 -","2","1","","Bender, Trandon A.; Dabrowski, Jennifer A.; Zhong, Hongyu; Gagné, Michel R","Diastereoselective B(C6F5)3-Catalyzed Reductive Carbocyclization of Unsaturated Carbohydrates.","Organic letters","2016","18","16","4120","4123","10.1021/acs.orglett.6b02050","","","1.54178","CuKα","","0.0207","0.0206","","","0.0523","0.0524","","","","","","1.113","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555683","27.853","0.002","15.8192","0.0009","16.3354","0.0009","90","","93.008","0.005","90","","7187.7","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 O10 -","- C35 H40 O10 -","- C280 H320 O80 -","8","1","","Dyadyuk, Alina; Sudheendran, Kavitha; Vainer, Yulia; Vershinin, Vlada; Shames, Alexander I.; Pappo, Doron","Direct Synthesis of Polyaryls by Consecutive Oxidative Cross-Coupling of Phenols with Arenes.","Organic letters","2016","18","17","4324","4327","10.1021/acs.orglett.6b02064","","","0.71073","MoKα","","0.0818","0.0588","","","0.1434","0.1525","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555684","41.1943","0.0008","41.1943","0.0008","4.9303","0.0004","90","","90","","120","","7245.7","0.6","123","","123","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H28 F6 N4 S2 -","- C32 H28 F6 N4 S2 -","- C288 H252 F54 N36 S18 -","9","0.5","","Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio","Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.","Organic letters","2016","18","17","4320","4323","10.1021/acs.orglett.6b02070","","","1.54187","CuKα","","0.0951","0.0708","","","0.1818","0.1927","","","","","","1.106","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555685","9.3041","0.00017","17.8786","0.0004","26.0132","0.0019","90","","94.968","0.007","90","","4310.9","0.3","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H28 F18 N4 S2 -","- C45 H28 F18 N4 S2 -","- C180 H112 F72 N16 S8 -","4","1","","Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio","Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.","Organic letters","2016","18","17","4320","4323","10.1021/acs.orglett.6b02070","","","1.54187","CuKα","","","0.0692","","","","0.1951","","","","","","1.216","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555686","11.286","0.0002","12.0729","0.0002","13.6655","0.001","86.182","0.006","69.301","0.005","85.413","0.006","1734.75","0.15","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 F6 N4 S2 -","- C39 H28 F6 N4 S2 -","- C78 H56 F12 N8 S4 -","2","1","","Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio","Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.","Organic letters","2016","18","17","4320","4323","10.1021/acs.orglett.6b02070","","","1.54187","CuKα","","0.0618","0.0548","","","0.1479","0.1535","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555687","7.4804","0.00011","10.4902","0.00019","18.4048","0.0003","90","","90","","90","","1444.24","0.04","294.1","0.5","294.1","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","1.54184","CuKα","","0.0522","0.0513","","","0.1299","0.1317","","","","","","1.107","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555688","10.9468","0.0004","13.1316","0.0005","19.8805","0.0008","90","","90","","90","","2857.8","0.19","296.71","0.1","296.71","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","1.54184","CuKα","","0.0442","0.0395","","","0.0987","0.1037","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555689","7.6484","0.0007","7.0465","0.0006","10.9071","0.0009","90","","98.254","0.009","90","","581.74","0.09","293.42","0.1","293.42","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C26 H38 N2 O4 -","2","1","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","0.71073","MoKα","","0.0469","0.0417","","","0.0952","0.0995","","","","","","1.099","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555690","9.672","0.004","25.53","0.009","9.182","0.003","90","","90","","90","","2267.3","1.4","293","2","293","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C27 H24 F N O2 -","- C27 H24 F N O2 -","- C108 H96 F4 N4 O8 -","4","1","","Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of Substituted Furan/Pyrrole-3-carboxamides through a Tandem Nucleopalladation and Isocyanate Insertion.","Organic letters","2016","18","17","4332","4335","10.1021/acs.orglett.6b02077","","","0.71075","MoKα","","0.1138","0.0591","","","0.1207","0.1367","","","","","","0.839","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555691","7.1372","0.0004","12.6521","0.0007","31.0391","0.0017","90","","90","","90","","2802.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","ThioBr2","","","- C9 H16 B Br2 P S -","- C9 H16 B Br2 P S -","- C72 H128 B8 Br16 P8 S8 -","8","1","","Imamoto, Tsuneo; Horiuchi, Yumi; Tamura, Ken; Sugiya, Masashi; Masu, Hyuma","Catalyst-Free and Regioconvergent Substitution Reactions of Bromothiophenes with a BH3-Substituted Phosphide Anion.","Organic letters","2016","18","16","4132","4135","10.1021/acs.orglett.6b02094","","","0.71073","MoKα","","0.0514","0.0335","","","0.0714","0.077","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555692","10.1556","0.0006","12.2943","0.0007","11.2898","0.0006","90","","101.946","0.0007","90","","1379.07","0.13","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3-4Br2","","","- C9 H16 B Br2 P S -","- C9 H16 B Br2 P S -","- C36 H64 B4 Br8 P4 S4 -","4","1","","Imamoto, Tsuneo; Horiuchi, Yumi; Tamura, Ken; Sugiya, Masashi; Masu, Hyuma","Catalyst-Free and Regioconvergent Substitution Reactions of Bromothiophenes with a BH3-Substituted Phosphide Anion.","Organic letters","2016","18","16","4132","4135","10.1021/acs.orglett.6b02094","","","0.71073","MoKα","","0.036","0.0274","","","0.0621","0.0649","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555693","11.3376","0.0003","9.2055","0.0002","14.8038","0.0004","90","","106.365","0.001","90","","1482.45","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 O3 -","- C36 H36 N2 O3 -","- C72 H72 N4 O6 -","2","1","","Zhang, Jia-Xing; Wang, Hong-Yu; Jin, Qiao-Wen; Zheng, Chang-Wu; Zhao, Gang; Shang, Yong-Jia","Thiourea-Quaternary Ammonium Salt Catalyzed Asymmetric 1, 3-Dipolar Cycloaddition of Imino Esters To Construct Spiro[pyrrolidin-3,3'-oxindoles].","Organic letters","2016","18","19","4774","4777","10.1021/acs.orglett.6b02098","","","1.54178","CuKα","","0.0309","0.0294","","","0.0751","0.0764","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555694","32.3","0.02","4.861","0.003","20.038","0.013","90","","126.539","0.017","90","","2528","3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H13 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Feng, Minghao; Tang, Bingqing; Xu, Hong-Xi; Jiang, Xuefeng","Collective Synthesis of Phenanthridinone through C-H Activation Involving a Pd-Catalyzed Aryne Multicomponent Reaction.","Organic letters","2016","18","17","4352","4355","10.1021/acs.orglett.6b02109","","","0.71073","MoKα","","0.1241","0.0541","","","0.11","0.1432","","","","","","0.983","","","","has coordinates","239024","2020-10-21","18:00:00",""
"1555695","8.4147","0.0007","9.8374","0.001","20.9238","0.0019","90","","90","","90","","1732","0.3","290.53","0.1","290.53","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl O3 -","- C19 H19 Cl O3 -","- C76 H76 Cl4 O12 -","4","1","","Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming","Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.","Organic letters","2016","18","17","4356","4359","10.1021/acs.orglett.6b02117","","x-ray","0.71073","MoKα","","0.0878","0.0586","","","0.1244","0.1599","","","","","","1.096","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555696","8.9734","0.0005","9.5887","0.0008","24.3831","0.0016","90","","90","","90","","2098","0.3","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br O2 Si -","- C21 H25 Br O2 Si -","- C84 H100 Br4 O8 Si4 -","4","1","","Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming","Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.","Organic letters","2016","18","17","4356","4359","10.1021/acs.orglett.6b02117","","","0.71073","MoKα","","0.0939","0.055","","","0.0975","0.1135","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555697","8.115","0.003","9.202","0.003","10.049","0.004","99.389","0.005","94.177","0.005","102.638","0.005","717.8","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C34 H28 O10 -","2","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin","Direct Construction of 4-Hydroxybenzils via Para-Selective C-C Bond Coupling of Phenols and Aryl Methyl Ketones.","Organic letters","2016","18","17","4360","4363","10.1021/acs.orglett.6b02118","","","0.71073","MoKα","","0.0932","0.0662","","","0.1997","0.2499","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555698","13.771","0.005","8.568","0.003","20.892","0.008","90","","100.249","0.006","90","","2425.7","1.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin","Direct Construction of 4-Hydroxybenzils via Para-Selective C-C Bond Coupling of Phenols and Aryl Methyl Ketones.","Organic letters","2016","18","17","4360","4363","10.1021/acs.orglett.6b02118","","","0.71073","MoKα","","0.0842","0.0618","","","0.1716","0.1859","","","","","","1.079","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555699","7.9918","0.0016","8.696","0.0017","22.75","0.005","90","","98.022","0.003","90","","1565.6","0.6","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin","Direct Construction of 4-Hydroxybenzils via Para-Selective C-C Bond Coupling of Phenols and Aryl Methyl Ketones.","Organic letters","2016","18","17","4360","4363","10.1021/acs.orglett.6b02118","","","0.71073","MoKα","","0.0823","0.0463","","","0.1304","0.1534","","","","","","0.993","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555700","10.3757","0.0002","11.5557","0.0002","24.7257","0.0004","90","","90","","90","","2964.57","0.09","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N2 O10 P S -","- C23 H43 N2 O10 P S -","- C92 H172 N8 O40 P4 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.062","0.0525","","","0.1386","0.1507","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555701","10.1789","0.0003","11.9132","0.0004","18.0755","0.0007","90","","90","","90","","2191.89","0.13","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 N2 O7 S -","- C16 H30 N2 O7 S -","- C64 H120 N8 O28 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.0605","0.0497","","","0.1257","0.136","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555702","10.2553","0.0004","11.3826","0.0004","23.6017","0.0009","90","","90","","90","","2755.07","0.18","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N2 O9 S -","- C22 H38 N2 O9 S -","- C88 H152 N8 O36 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.063","0.0476","","","0.115","0.1286","","","","","","1.009","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555703","8.5903","0.0001","9.1195","0.0001","17.5588","0.0002","90","","90","","90","","1375.54","0.03","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0518","0.0482","","","0.1399","0.1489","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555704","8.7114","0.0002","9.1691","0.0002","16.9047","0.0005","90","","90","","90","","1350.27","0.06","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0349","0.0343","","","0.092","0.0925","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555705","7.8847","0.0004","12.731","0.0006","13.5189","0.0007","90","","90","","90","","1357.03","0.12","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.034","0.0327","","","0.0875","0.0885","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555706","8.7313","0.0001","10.0431","0.0001","14.6801","0.0002","90","","90","","90","","1287.29","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0351","0.0347","","","0.0879","0.0885","","","","","","1.102","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555707","11.087","0.005","7.621","0.003","12.555","0.005","90","","112.697","0.006","90","","978.7","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 Si -","- C26 H22 Si -","- C52 H44 Si2 -","2","1","","Murai, Masahito; Okada, Ryo; Nishiyama, Atsushi; Takai, Kazuhiko","Synthesis and Properties of Sila[n]helicenes via Dehydrogenative Silylation of C-H Bonds under Rhodium Catalysis.","Organic letters","2016","18","17","4380","4383","10.1021/acs.orglett.6b02134","","","0.71075","MoKα","","0.0342","0.0319","","","0.0841","0.0852","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555708","14.58554","0.00008","8.33918","0.00005","25.4351","0.0002","90","","90","","90","","3093.71","0.03","99.95","0.16","99.95","0.16","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(2,6-Diisopropylphenyl)-2H-benzotriazole","","- C18 H21 N3 -","- C18 H21 N3 -","- C144 H168 N24 -","8","2","","Kim, Seyong; Jo, Junyong; Lee, Dongwhan","Conformationally Distorted π-Conjugation for Reaction-Based Detection of Nickel: Fluorescence Turn-on by Twist-and-Fragment.","Organic letters","2016","18","18","4530","4533","10.1021/acs.orglett.6b02140","","x-ray","1.54184","CuKα","","0.0324","0.032","","","0.0864","0.087","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555709","45.749","0.003","10.2559","0.0007","26.996","0.002","90","","122.902","0.002","90","","10634.8","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H47 Cl2 F6 P3 Pd3 -","- C58 H47 Cl2 F6 P3 Pd3 -","- C464 H376 Cl16 F48 P24 Pd24 -","8","1","","Deng, Xiao-Yun; Lin, Jin-Hong; Xiao, Ji-Chang","Pd-Catalyzed Transfer of Difluorocarbene.","Organic letters","2016","18","17","4384","4387","10.1021/acs.orglett.6b02141","","","0.71073","MoKα","","0.0357","0.0259","","","0.0693","0.0744","","","","","","1.067","","","","has coordinates","239040","2020-10-21","18:00:00",""
"1555710","12.021","0.002","3.7932","0.0006","23.197","0.004","90","","90.203","0.007","90","","1057.7","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F N O2 -","- C14 H8 F N O2 -","- C56 H32 F4 N4 O8 -","4","1","","Verma, Ajay; Kumar, Sangit","Selective Oxidative Decarbonylative Cleavage of Unstrained C(sp(3))-C(sp(2)) Bond: Synthesis of Substituted Benzoxazinones.","Organic letters","2016","18","17","4388","4391","10.1021/acs.orglett.6b02142","","x-ray","0.71073","MoKα","","0.1254","0.0595","","","0.1089","0.1284","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555711","3.8804","0.0007","7.5188","0.0014","43.727","0.009","90","","90","","90","","1275.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 Br N2 O4 -","- C14 H7 Br N2 O4 -","- C56 H28 Br4 N8 O16 -","4","1","","Verma, Ajay; Kumar, Sangit","Selective Oxidative Decarbonylative Cleavage of Unstrained C(sp(3))-C(sp(2)) Bond: Synthesis of Substituted Benzoxazinones.","Organic letters","2016","18","17","4388","4391","10.1021/acs.orglett.6b02142","","x-ray","0.71073","MoKα","","0.098","0.0494","","","0.0638","0.0712","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555712","14.8278","0.001","15.0838","0.001","20.0662","0.0012","108.103","0.003","97.486","0.003","103.078","0.003","4056.5","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H86 Cl6 N6 O7 -","- C90 H85 Cl3 N6 O7 -","- C180 H170 Cl6 N12 O14 -","2","1","","Yeon, Yerim; Leem, Soojung; Wagen, Corin; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","3-(Dicyanomethylidene)indan-1-one-Functionalized Calix[4]arene-Calix[4]pyrrole Hybrid: An Ion-Pair Sensor for Cesium Salts.","Organic letters","2016","18","17","4396","4399","10.1021/acs.orglett.6b02155","","","0.71073","MoKα","","0.1144","0.0624","","","0.153","0.1829","","","","","","1.019","","","","has coordinates,has disorder","239043","2020-10-21","18:00:00",""
"1555713","20.026","0.004","36.681","0.007","14.516","0.003","90","","110.35","0.03","90","","9998","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H103 N9 O6 S -","- C108 H103 N9 O6 S -","- C432 H412 N36 O24 S4 -","4","1","","Jeon, Hae-Geun; Jang, Han Bit; Kang, Philjae; Choi, Ye Rin; Kim, Junyoung; Lee, Ji Hyun; Choi, Moon-Gun; Jeong, Kyu-Sung","Helical Aromatic Foldamers Functioning as a Fluorescence Turn-on Probe for Anions.","Organic letters","2016","18","17","4404","4407","10.1021/acs.orglett.6b02156","","","0.7","synchrotron","","0.1202","0.0776","","","0.2128","0.237","","","","","","1.02","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555714","16.057","0.003","36.163","0.007","40.408","0.008","90","","90","","90","","23464","8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C112 H114 N8 O8 -","- C112 H114 N8 O8 -","- C896 H912 N64 O64 -","8","1","","Jeon, Hae-Geun; Jang, Han Bit; Kang, Philjae; Choi, Ye Rin; Kim, Junyoung; Lee, Ji Hyun; Choi, Moon-Gun; Jeong, Kyu-Sung","Helical Aromatic Foldamers Functioning as a Fluorescence Turn-on Probe for Anions.","Organic letters","2016","18","17","4404","4407","10.1021/acs.orglett.6b02156","","","0.7","synchrotron","","0.1341","0.0733","","","0.1887","0.213","","","","","","0.958","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555715","8.9435","0.0001","8.7011","0.0001","9.261","0.0002","90","","99.32","0.001","90","","711.162","0.019","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C26 H48 O8 -","2","1","","Cornil, Johan; Echeverria, Pierre-Georges; Reymond, Sébastien; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie; Guérinot, Amandine; Cossy, Janine","Synthetic Studies toward the C14-C29 Fragment of Mirabalin.","Organic letters","2016","18","18","4534","4537","10.1021/acs.orglett.6b02162","","","1.54178","CuKα","","0.0309","0.0308","","","0.0842","0.0845","","","","","","1.043","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555716","11.851","0.003","12.377","0.004","11.931","0.003","90","","108.65","0.03","90","","1658.1","0.9","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Br2 N4 -","- C19 H12 Br2 N4 -","- C76 H48 Br8 N16 -","4","1","","Ghorbani, Mahdi; Mohammadi, Bagher; Saraii, Mahnaz; Masoumi, Bakhshali; Abbasian, Mojtaba; Ramazani, Ali; Slepokura, Katarzyna; Lis, Tadeusz","A Three-Component Reaction for the Synthesis of 1-Azabicyclo[3.1.0]hexane-3-enes.","Organic letters","2016","18","19","4759","4761","10.1021/acs.orglett.6b02180","","","0.71073","MoKα","","0.0414","0.0305","","","0.0651","0.0689","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555717","11.7811","0.0006","12.1808","0.0006","17.8426","0.0013","80.372","0.006","88.311","0.006","87.675","0.006","2521.7","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H35 Br N2 O2 Si -","- C24 H35 Br N2 O2 Si -","- C96 H140 Br4 N8 O8 Si4 -","4","2","","Jing, Changcheng; Cheng, Qing-Qing; Deng, Yongming; Arman, Hadi; Doyle, Michael P.","Highly Regio- and Enantioselective Formal [3 + 2]-Annulation of Indoles with Electrophilic Enol Carbene Intermediates.","Organic letters","2016","18","18","4550","4553","10.1021/acs.orglett.6b02192","","","0.71075","MoKα","","0.0986","0.0733","","","0.1565","0.1682","","","","","","1.108","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555718","8.5706","0.001","31.946","0.004","9.0911","0.0012","90","","99.794","0.004","90","","2452.8","0.5","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 N O Si -","- C27 H35 N O Si -","- C108 H140 N4 O4 Si4 -","4","1","","Malone, Joshua A.; Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Effects of Solvent and Residual Water on Enhancing the Reactivity of Six-Membered Silyloxyallyl Cations toward Nucleophilic Addition.","Organic letters","2016","18","17","4408","4411","10.1021/acs.orglett.6b02194","","","0.71073","MoKα","","0.0664","0.0448","","","0.1066","0.1179","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555719","12.2375","0.0006","14.2198","0.0008","13.0699","0.0006","90","","113.855","0.002","90","","2080.06","0.19","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Br N O Si -","- C21 H30 Br N O Si -","- C84 H120 Br4 N4 O4 Si4 -","4","1","","Malone, Joshua A.; Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Effects of Solvent and Residual Water on Enhancing the Reactivity of Six-Membered Silyloxyallyl Cations toward Nucleophilic Addition.","Organic letters","2016","18","17","4408","4411","10.1021/acs.orglett.6b02194","","","0.71073","MoKα","","0.044","0.029","","","0.0657","0.0702","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555720","6.9086","0.0004","13.0711","0.0008","29.2663","0.0018","90","","90","","90","","2642.8","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29.64 H34.56 O10.36 -","- C29.64 H34.56 O10.36 -","- C118.56 H138.24 O41.44 -","4","1","","Zhou, Ming; Liu, Ye; Song, Jian; Peng, Xiao-Gang; Cheng, Qi; Cao, Hui; Xiang, Ming; Ruan, Han-Li","Schincalide A, a Schinortriterpenoid with a Tricyclo[5.2.1.0(1,6)]decane-Bridged System from the Stems and Leaves of Schisandra incarnate.","Organic letters","2016","18","18","4558","4561","10.1021/acs.orglett.6b02197","","","1.54178","CuKα","","0.0662","0.0636","","","0.1807","0.1826","","","","","","1.116","","","","has coordinates,has disorder","239051","2020-10-21","18:00:00",""
"1555721","9.973","0.006","10.372","0.006","19.048","0.011","104.203","0.006","90.641","0.006","96.358","0.005","1896.8","1.9","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","2","","Wang, Weiguo; Wei, Fang; Ma, Yudao; Tung, Chen-Ho; Xu, Zhenghu","Copper(I)-Catalyzed Three-Component Click/Alkynylation: One-Pot Synthesis of 5-Alkynyl-1,2,3-triazoles.","Organic letters","2016","18","17","4158","4161","10.1021/acs.orglett.6b02199","","","0.71","MoKα","","0.1002","0.057","","","0.1457","0.1716","","","","","","0.979","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555722","17.673","0.003","5.8274","0.0008","8.4242","0.0014","90","","92.611","0.013","90","","866.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","1","","Taylor, Scott D.; Lohani, Chuda Raj","A Fresh Look at the Staudinger Reaction on Azido Esters: Formation of 2H-1,2,3-Triazol-4-ols from α-Azido Esters Using Trialkyl Phosphines.","Organic letters","2016","18","17","4412","4415","10.1021/acs.orglett.6b02204","","","0.71073","MoKα","","0.1016","0.0558","","","0.1033","0.1121","","","","","","1.223","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555723","14.669","0.002","32.397","0.005","19.484","0.003","90","","111.648","0.003","90","","8606","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H33 N9 O6 -","- C69 H33 N9 O6 -","- C276 H132 N36 O24 -","4","1","","Wang, Zhen; Luo, Yi; Zhai, Tian-Long; Ma, Hui; Chen, Jing-Jing; Shu, Yuanjie; Zhang, Chun","Porous Triphenylbenzene-Based Bicyclooxacalixarene Cage for Selective Adsorption of CO2/N2.","Organic letters","2016","18","18","4574","4577","10.1021/acs.orglett.6b02219","","","0.71073","MoKα","","0.137","0.1169","","","0.311","0.33","","","","","","0.944","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555724","13.386","0.0007","22.1035","0.0009","15.0948","0.0008","90","","90.213","0.005","90","","4466.2","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N O2 -","- C29 H22 N O2 -","- C232 H176 N8 O16 -","8","2","","Cai, Zhong-Jian; Li, Fang-Hui; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Arene/Alkyne Annulation: Synthesis of Fluorene-Benzoxazine Derivatives.","Organic letters","2016","18","19","4810","4813","10.1021/acs.orglett.6b02224","","","0.71073","MoKα","","0.1472","0.0648","","","0.1187","0.1419","","","","","","1","","","","has coordinates,has disorder","239055","2020-10-21","18:00:00",""
"1555725","7.3458","0.0002","11.9086","0.0003","21.862","0.0006","90","","90","","90","","1912.45","0.09","295.6","0.3","295.6","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 F N O -","- C27 H16 F N O -","- C108 H64 F4 N4 O4 -","4","1","","Cai, Zhong-Jian; Li, Fang-Hui; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Arene/Alkyne Annulation: Synthesis of Fluorene-Benzoxazine Derivatives.","Organic letters","2016","18","19","4810","4813","10.1021/acs.orglett.6b02224","","","1.54184","CuKα","","0.0586","0.0505","","","0.1457","0.1552","","","","","","1.116","","","","has coordinates","239056","2020-10-21","18:00:00",""
"1555726","12.7082","0.0012","10.0795","0.0009","24.4296","0.0018","90","","90","","90","","3129.2","0.5","292.2","0.6","292.2","0.6","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Bantreil, Xavier; Bourderioux, Aurélie; Mateo, Pierre; Hagerman, Caroline E.; Selkti, Mohamed; Brachet, Etienne; Belmont, Philippe","Phosphine-Triggered Selectivity Switch in Silver-Catalyzed o-Alkynylbenzohydroxamic Acid Cycloisomerizations.","Organic letters","2016","18","19","4814","4817","10.1021/acs.orglett.6b02235","","x-ray","0.71073","MoKα","","0.0947","0.0592","","","0.1679","0.1879","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555727","10.5129","0.0006","8.026","0.0005","12.3315","0.0007","90","","99.836","0.002","90","","1025.19","0.1","122","2","122","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O7 S -","- C18 H21 N3 O7 S -","- C36 H42 N6 O14 S2 -","2","1","","Glibstrup, Emil; Pedersen, Christian Marcus","Scalable Synthesis of Anomerically Pure Orthogonal-Protected GlcN3 and GalN3 from d-Glucosamine.","Organic letters","2016","18","17","4424","4427","10.1021/acs.orglett.6b02241","","","0.71073","MoKα","","0.0473","0.0431","","","0.1082","0.1111","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555728","8.9053","0.0011","9.1342","0.0011","10.3857","0.0012","85.819","0.01","88.672","0.01","77.281","0.011","821.86","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C40 H38 N6 O4 -","2","1","","Li, Zexian; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Palladium-Catalyzed Regioselective C8-H Amination of 1-Naphthylamine Derivatives with Aliphatic Amines.","Organic letters","2016","18","18","4594","4597","10.1021/acs.orglett.6b02243","","x-ray","0.71073","MoKα","","0.0806","0.052","","","0.1486","0.1756","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555729","11.69","0.04","5.133","0.016","14.52","0.05","90","","109.05","0.03","90","","824","5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Morita, Tomohiro; Akita, Mitsutoshi; Satoh, Tetsuya; Kakiuchi, Fumitoshi; Miura, Masahiro","Ruthenium-Catalyzed Cross-Coupling of Maleimides with Alkenes.","Organic letters","2016","18","18","4598","4601","10.1021/acs.orglett.6b02244","","","0.71075","MoKα","","0.2073","0.0892","","","0.1672","0.2218","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555730","8.1402","0.0013","15.085","0.002","8.9672","0.0014","90","","104.569","0.005","90","","1065.7","0.3","147","2","147","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Luo, Bo; Gao, Jin-Ming; Lautens, Mark","Palladium-Catalyzed Norbornene-Mediated Tandem Amination/Cyanation Reaction: A Method for the Synthesis of ortho-Aminated Benzonitriles.","Organic letters","2016","18","17","4166","4169","10.1021/acs.orglett.6b02249","","","0.71073","MoKα","","0.0455","0.0369","","","0.0852","0.0897","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555731","9.1894","0.0014","9.4311","0.0015","10.3177","0.0015","105.277","0.005","93.849","0.005","116.71","0.004","752.5","0.2","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Luo, Bo; Gao, Jin-Ming; Lautens, Mark","Palladium-Catalyzed Norbornene-Mediated Tandem Amination/Cyanation Reaction: A Method for the Synthesis of ortho-Aminated Benzonitriles.","Organic letters","2016","18","17","4166","4169","10.1021/acs.orglett.6b02249","","","0.71073","MoKα","","0.0484","0.0366","","","0.0901","0.0983","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555732","8.8389","0.0002","10.1118","0.0003","20.365","0.0006","91.087","0.002","95.709","0.002","107.236","0.002","1727.56","0.08","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N2 O8 S2 -","- C33 H38 N2 O8 S2 -","- C66 H76 N4 O16 S4 -","2","1","","Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu","Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.","Organic letters","2016","18","18","4614","4617","10.1021/acs.orglett.6b02253","","","0.71","MoKα","","0.1282","0.0824","","","0.2329","0.2714","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555733","8.76","0.05","10.03","0.06","20.67","0.12","97.61","0.04","97.04","0.05","107.15","0.04","1695","17","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Br N2 O8 S2 -","- C33 H37 Br N2 O8 S2 -","- C66 H74 Br2 N4 O16 S4 -","2","1","","Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu","Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.","Organic letters","2016","18","18","4614","4617","10.1021/acs.orglett.6b02253","","","0.71","MoKα","","0.1253","0.0423","","","0.0805","0.1031","","","","","","0.895","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555734","9.901","0.002","11.342","0.002","13.766","0.003","97.9523","0.0018","97.714","0.0018","115.282","0.0016","1351.7","0.5","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N O7 S -","- C30 H31 N O7 S -","- C60 H62 N2 O14 S2 -","2","1","","Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu","Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.","Organic letters","2016","18","18","4614","4617","10.1021/acs.orglett.6b02253","","","0.71","MoKα","","0.0771","0.0425","","","0.0831","0.0965","","","","","","1.007","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555735","8.22","0.03","13.26","0.06","13.66","0.06","62.43","0.03","75.81","0.04","86.19","0.04","1278","9","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N O7 S -","- C30 H31 N O7 S -","- C60 H62 N2 O14 S2 -","2","1","","Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu","Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.","Organic letters","2016","18","18","4614","4617","10.1021/acs.orglett.6b02253","","","0.71","MoKα","","0.0536","0.0409","","","0.1044","0.115","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555736","11.539","0.0013","16.419","0.002","18.984","0.002","77.096","0.002","85.285","0.002","73.926","0.002","3368","0.7","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H18 F51 I3 N6 O3 -","- C51 H18 F51 I3 N6 O3 -","- C102 H36 F102 I6 N12 O6 -","2","1","","Sun, Xiaoyang; Wang, Wenmin; Li, Yanle; Ma, Jing; Yu, Shouyun","Halogen-Bond-Promoted Double Radical Isocyanide Insertion under Visible-Light Irradiation: Synthesis of 2-Fluoroalkylated Quinoxalines.","Organic letters","2016","18","18","4638","4641","10.1021/acs.orglett.6b02271","","","0.71073","MoKα","","0.116","0.0639","","","0.17","0.2052","","","","","","1.017","","","","has coordinates,has disorder","239067","2020-10-21","18:00:00",""
"1555737","5.3794","0.0012","8.0586","0.0017","26.339","0.006","81.743","0.004","86.002","0.004","76.923","0.004","1099.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H6 F17 I N2 O -","- C17 H6 F17 I N2 O -","- C34 H12 F34 I2 N4 O2 -","2","1","","Sun, Xiaoyang; Wang, Wenmin; Li, Yanle; Ma, Jing; Yu, Shouyun","Halogen-Bond-Promoted Double Radical Isocyanide Insertion under Visible-Light Irradiation: Synthesis of 2-Fluoroalkylated Quinoxalines.","Organic letters","2016","18","18","4638","4641","10.1021/acs.orglett.6b02271","","","0.71073","MoKα","","0.0808","0.0708","","","0.1927","0.2095","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555738","9.6089","0.0005","9.7376","0.0006","14.4701","0.0008","90","","96.693","0.002","90","","1344.71","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Du, Bingnan; Qian, Ping; Wang, Yang; Mei, Haibo; Han, Jianlin; Pan, Yi","Cu-Catalyzed Deoxygenative C2-Sulfonylation Reaction of Quinoline N-Oxides with Sodium Sulfinate.","Organic letters","2016","18","16","4144","4147","10.1021/acs.orglett.6b02289","","","0.71073","MoKα","","0.0354","0.0319","","","0.0825","0.0846","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555739","8.3423","0.0016","14.044","0.003","15.465","0.003","90","","92.323","0.003","90","","1810.4","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 B O3 -","- C21 H23 B O3 -","- C84 H92 B4 O12 -","4","1","","Jakhar, Vineet Kumar; Barman, Milan Kr; Nembenna, Sharanappa","Aluminum Monohydride Catalyzed Selective Hydroboration of Carbonyl Compounds.","Organic letters","2016","18","18","4710","4713","10.1021/acs.orglett.6b02310","","","0.71073","MoKα","","0.0538","0.043","","","0.1075","0.1145","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555740","12.2925","0.0007","12.5244","0.0006","16.9143","0.0009","90","","98.731","0.004","90","","2573.9","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Al N3 -","- C27 H44 Al N3 -","- C108 H176 Al4 N12 -","4","1","","Jakhar, Vineet Kumar; Barman, Milan Kr; Nembenna, Sharanappa","Aluminum Monohydride Catalyzed Selective Hydroboration of Carbonyl Compounds.","Organic letters","2016","18","18","4710","4713","10.1021/acs.orglett.6b02310","","","0.71073","MoKα","","0.1096","0.077","","","0.2107","0.2354","","","","","","1.06","","","","has coordinates","239071","2020-10-21","18:00:00",""
"1555741","8.5731","0.0005","9.2969","0.0004","17.1079","0.0007","90","","90","","90","","1363.56","0.11","294.23","0.1","294.23","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","0.71073","MoKα","","0.0722","0.0532","","","0.0978","0.1118","","","","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555742","14.6129","0.0006","14.6129","0.0006","14.5834","0.0006","90","","90","","120","","2696.88","0.19","290.8","0.2","290.8","0.2","","","","","","","","5","P 61","P 61","169","","","","- C15 H19 Cl2 N O2 -","- C15 H19 Cl2 N O2 -","- C90 H114 Cl12 N6 O12 -","6","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","1.54184","CuKα","","0.0682","0.0466","","","0.1113","0.1229","","","","","","0.993","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555743","8.4853","0.0003","8.4853","0.0003","37.19","0.0015","90","","90","","90","","2677.69","0.17","294.44","0.1","294.44","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","0.71073","MoKα","","0.082","0.0552","","","0.1114","0.1274","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555744","7.8003","0.0009","16.2905","0.0009","17.4071","0.0012","79.797","0.005","87.838","0.007","87.209","0.006","2173.4","0.3","150","0.1","150","0.1","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C52 H56 N2 Si2 -","- C52 H56 N2 Si2 -","- C104 H112 N4 Si4 -","2","1","","Antonicelli, Gabriella; Gozalvez, Cristian; Atxabal, Ainhoa; Melle-Franco, Manuel; Hueso, Luis E.; Mateo-Alonso, Aurelio","K-Conjugated Dibenzoazahexacenes.","Organic letters","2016","18","18","4694","4697","10.1021/acs.orglett.6b02332","","x-ray","1.54184","CuKα","","0.1143","0.0729","","","0.1791","0.2101","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555745","7.7643","0.0008","16.145","0.0016","17.4579","0.0019","80.174","0.009","88.112","0.009","87.207","0.008","2153.1","0.4","150","0.1","150","0.1","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C50 H54 N4 Si2 -","- C50 H54 N4 Si2 -","- C100 H108 N8 Si4 -","2","1","","Antonicelli, Gabriella; Gozalvez, Cristian; Atxabal, Ainhoa; Melle-Franco, Manuel; Hueso, Luis E.; Mateo-Alonso, Aurelio","K-Conjugated Dibenzoazahexacenes.","Organic letters","2016","18","18","4694","4697","10.1021/acs.orglett.6b02332","","x-ray","1.54184","CuKα","","0.1644","0.1272","","","0.3448","0.3858","","","","","","1.175","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555746","18.3635","0.0008","25.2508","0.0011","9.9745","0.0004","90","","90","","90","","4625.1","0.3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C43 H52 Cl6 N2 O8 -","- C43 H52 Cl6 N2 O8 -","- C172 H208 Cl24 N8 O32 -","4","0.5","","Garcia, Alfredo; Drown, Bryon S.; Hergenrother, Paul J.","Access to a Structurally Complex Compound Collection via Ring Distortion of the Alkaloid Sinomenine.","Organic letters","2016","18","19","4852","4855","10.1021/acs.orglett.6b02333","","","1.54178","CuKα","","0.0475","0.0471","","","0.1222","0.1226","","","","","","1.095","","","","has coordinates,has disorder","239077","2020-10-21","18:00:00",""
"1555747","8.4444","0.0003","10.0554","0.0004","18.0941","0.0007","90","","90","","90","","1536.4","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Garcia, Alfredo; Drown, Bryon S.; Hergenrother, Paul J.","Access to a Structurally Complex Compound Collection via Ring Distortion of the Alkaloid Sinomenine.","Organic letters","2016","18","19","4852","4855","10.1021/acs.orglett.6b02333","","","1.54178","CuKα","","0.0268","0.0261","","","0.0647","0.0653","","","","","","1.104","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555748","10.1204","0.0004","17.4091","0.0007","19.0464","0.0008","90.665","0.002","104.582","0.002","94.448","0.002","3236.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H26 Br3 Cl N2 O -","- C27.5 H26 Br3 Cl N2 O -","- C110 H104 Br12 Cl4 N8 O4 -","4","2","","Janssen-Müller, Daniel; Singha, Santanu; Olyschläger, Theresa; Daniliuc, Constantin G.; Glorius, Frank","Annulation of o-Quinodimethanes through N-Heterocyclic Carbene Catalysis for the Synthesis of 1-Isochromanones.","Organic letters","2016","18","17","4444","4447","10.1021/acs.orglett.6b02335","","","1.54178","CuKα","","0.0385","0.0334","","","0.079","0.0813","","","","","","1.045","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555749","13.301","0.003","5.8835","0.0012","15.051","0.003","90","","98.531","0.01","90","","1164.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 O4 -","- C12 H9 F3 O4 -","- C48 H36 F12 O16 -","4","1","","Janssen-Müller, Daniel; Singha, Santanu; Olyschläger, Theresa; Daniliuc, Constantin G.; Glorius, Frank","Annulation of o-Quinodimethanes through N-Heterocyclic Carbene Catalysis for the Synthesis of 1-Isochromanones.","Organic letters","2016","18","17","4444","4447","10.1021/acs.orglett.6b02335","","","1.54178","CuKα","","0.1083","0.0893","","","0.2456","0.2759","","","","","","1.108","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555750","8.67174","0.00016","12.0843","0.0002","15.4857","0.0003","86.329","0.0008","78.921","0.0008","74.044","0.0008","1531.07","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H49 Li Ni O8 -","- C30 H49 Li Ni O8 -","- C60 H98 Li2 Ni2 O16 -","2","1","","Iwasaki, Takanori; Fukuoka, Asuka; Min, Xin; Yokoyama, Wataru; Kuniyasu, Hitoshi; Kambe, Nobuaki","Multicomponent Coupling Reaction of Perfluoroarenes with 1,3-Butadiene and Aryl Grignard Reagents Promoted by an Anionic Ni(II) Complex.","Organic letters","2016","18","19","4868","4871","10.1021/acs.orglett.6b02343","","","1.54187","CuKα","","0.0465","0.0415","","","0.1162","0.1193","","","","","","1.075","","","","has coordinates","239080","2020-10-21","18:00:00",""
"1555751","10.8104","0.0003","11.1726","0.0003","21.1349","0.0005","90","","90","","90","","2552.68","0.12","288","2","288","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Cl3 N2 O3 S -","- C23 H29 Cl3 N2 O3 S -","- C92 H116 Cl12 N8 O12 S4 -","4","1","","Zhang, Juan; Chen, Zhi-Xiong; Du, Ting; Li, Bing; Gu, Yonghong; Tian, Shi-Kai","Aryne-Mediated [2,3]-Sigmatropic Rearrangement of Tertiary Allylic Amines.","Organic letters","2016","18","19","4872","4875","10.1021/acs.orglett.6b02344","","","1.54184","CuKα","","0.0815","0.0771","","","0.1938","0.1985","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555752","9.1897","0.0002","10.1219","0.0003","12.6525","0.0003","90","","95.598","0.002","90","","1171.29","0.05","289","2","289","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 Br N3 O3 S -","- C22 H26 Br N3 O3 S -","- C44 H52 Br2 N6 O6 S2 -","2","1","","Zhang, Juan; Chen, Zhi-Xiong; Du, Ting; Li, Bing; Gu, Yonghong; Tian, Shi-Kai","Aryne-Mediated [2,3]-Sigmatropic Rearrangement of Tertiary Allylic Amines.","Organic letters","2016","18","19","4872","4875","10.1021/acs.orglett.6b02344","","","1.54184","CuKα","","0.0377","0.0355","","","0.0934","0.0967","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555753","11.48668","0.00007","7.37203","0.00006","20.25344","0.00015","90","","106.033","0.0007","90","","1648.35","0.02","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O2 S -","- C18 H17 Cl N2 O2 S -","- C72 H68 Cl4 N8 O8 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Functionalization of Alkenes through Telescoped Continuous Flow Aziridination Processes.","Organic letters","2016","18","19","4908","4911","10.1021/acs.orglett.6b02349","","x-ray","1.54184","CuKα","","0.0348","0.0332","","","0.0911","0.093","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555754","8.9249","0.00006","12.0771","0.00008","15.5355","0.00013","90","","98.2881","0.0007","90","","1657.03","0.02","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I N2 O3 S -","- C15 H17 I N2 O3 S -","- C60 H68 I4 N8 O12 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Functionalization of Alkenes through Telescoped Continuous Flow Aziridination Processes.","Organic letters","2016","18","19","4908","4911","10.1021/acs.orglett.6b02349","","x-ray","1.54184","CuKα","","0.0304","0.0302","","","0.0813","0.0816","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555755","11.3527","0.0013","11.6672","0.0013","16.7434","0.0019","96.567","0.002","95.824","0.002","102.162","0.003","2135.7","0.4","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","froywh06","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C112 H108 N4 O8 -","4","2","","Huang, Yu-Wen; Frontier, Alison J.","Nazarov Cyclization/Internal Redox Cyclization Sequence for the Synthesis of N-Heterocyclic Bridged Ring Systems.","Organic letters","2016","18","19","4896","4899","10.1021/acs.orglett.6b02369","","","0.71073","MoKα","","0.1046","0.0512","","","0.094","0.1119","","","","","","0.999","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555756","6.9578","0.0015","11.041","0.002","24.685","0.005","90","","90","","90","","1896.3","0.7","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","froywh05","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Huang, Yu-Wen; Frontier, Alison J.","Nazarov Cyclization/Internal Redox Cyclization Sequence for the Synthesis of N-Heterocyclic Bridged Ring Systems.","Organic letters","2016","18","19","4896","4899","10.1021/acs.orglett.6b02369","","","0.71073","MoKα","","0.1409","0.0644","","","0.1154","0.1444","","","","","","0.993","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555757","8.5529","0.0004","9.1794","0.0004","12.3004","0.0005","75.507","0.002","77.927","0.002","82.204","0.002","910.75","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C42 H44 N4 O6 -","2","1","","Foley, Christopher; Shaw, Arthur; Hulme, Christopher","Two-Step Route to Diverse N-Functionalized Peptidomimetic-like Isatins through an Oxidation/Intramolecular Oxidative-Amidation Cascade of Ugi Azide and Ugi Three-Component Reaction Products.","Organic letters","2016","18","19","4904","4907","10.1021/acs.orglett.6b02383","","","0.71073","","","0.0746","0.0462","","","0.1188","0.1417","","","","","","0.981","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555758","8.1296","0.0003","15.4679","0.0006","33.0511","0.0014","90","","94.9069","0.0019","90","","4140.9","0.3","376","2","376","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C200 H184 N8 O32 -","8","2","","Chen, Cuili; Zou, Yongzhen; Chen, Xianxiao; Zhang, Xiaoxiang; Rao, Weidong; Chan, Philip Wai Hong","Gold-Catalyzed Tandem 1,3-Migration/Double Cyclopropanation of 1-Ene-4,n-diyne Esters to Tetracyclodecene and Tetracycloundecene Derivatives.","Organic letters","2016","18","18","4730","4733","10.1021/acs.orglett.6b02404","","","0.71073","MoKα","","0.0731","0.0451","","","0.1182","0.1491","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555759","8.1119","0.0004","15.0586","0.0008","10.8705","0.0005","90","","101.345","0.0019","90","","1301.93","0.11","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O -","- C17 H18 O -","- C68 H72 O4 -","4","1","","Chen, Cuili; Zou, Yongzhen; Chen, Xianxiao; Zhang, Xiaoxiang; Rao, Weidong; Chan, Philip Wai Hong","Gold-Catalyzed Tandem 1,3-Migration/Double Cyclopropanation of 1-Ene-4,n-diyne Esters to Tetracyclodecene and Tetracycloundecene Derivatives.","Organic letters","2016","18","18","4730","4733","10.1021/acs.orglett.6b02404","","","0.71073","MoKα","","0.0599","0.0461","","","0.1251","0.1362","","","","","","1.079","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555760","11.481","0.0002","13.8874","0.0003","14.2299","0.001","90","","111.405","0.008","90","","2112.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 O6 -","- C25 H27 O6 -","- C100 H108 O24 -","4","1","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54187","CuKα","","0.0588","0.0556","","","0.1445","0.1473","","","","","","1.063","","","","has coordinates","239090","2020-10-21","18:00:00",""
"1555761","28.362","0.002","5.9866","0.0001","16.1832","0.0003","90","","100.97","0.007","90","","2697.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O8 -","- C29 H30 N2 O8 -","- C116 H120 N8 O32 -","4","1","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54178","CuKα","","0.0897","0.0598","","","0.1565","0.1823","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555762","9.22","0.002","9.221","0.003","17.022","0.004","90","","95.108","0.008","90","","1441.4","0.7","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54178","CuKα","","0.1064","0.09","","","0.309","0.3901","","","","","","1.905","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555763","15.6433","0.0002","8.7737","0.0001","31.105","0.002","90","","90","","90","","4269.1","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H26 O6 -","- C25 H26 O6 -","- C200 H208 O48 -","8","2","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54187","CuKα","","0.0521","0.0449","","","0.1202","0.1277","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555764","20.9111","0.0004","10.4665","0.0002","15.9414","0.0003","90","","105.059","0.0011","90","","3369.21","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 N O6 -","- C17 H18 N O6 -","- C136 H144 N8 O48 -","8","2","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","0.71073","MoKα","","0.0949","0.0505","","","0.1239","0.1448","","","","","","1.019","","","","has coordinates","239094","2020-10-21","18:00:00",""
"1555765","9.0774","0.0018","15.15","0.003","16.882","0.003","90","","93.62","0.03","90","","2317","0.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C92 H120 N8 O28 -","4","1","","Yang, Changjiang; Liu, Wei; He, Zijian; He, Zhengjie","Divergent Reactivity of Nitrocyclopropanes with Huisgen Zwitterions and Facile Syntheses of 3-Alkoxy Pyrazolines and Pyrazoles.","Organic letters","2016","18","19","4936","4939","10.1021/acs.orglett.6b02415","","","0.71073","MoKα","","0.0824","0.0661","","","0.193","0.2099","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555766","8.296","0.003","8.793","0.003","10.13","0.003","100.061","0.002","106.015","0.004","108.472","0.002","645.2","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O3 -","- C13 H13 Br N2 O3 -","- C26 H26 Br2 N4 O6 -","2","1","","Yang, Changjiang; Liu, Wei; He, Zijian; He, Zhengjie","Divergent Reactivity of Nitrocyclopropanes with Huisgen Zwitterions and Facile Syntheses of 3-Alkoxy Pyrazolines and Pyrazoles.","Organic letters","2016","18","19","4936","4939","10.1021/acs.orglett.6b02415","","","0.71073","MoKα","","0.0245","0.0227","","","0.0611","0.0614","","","","","","1.078","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555767","5.3836","0.0003","31.775","0.002","9.5511","0.0006","90","","90","","90","","1633.85","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Lynch, Denis; Deasy, Rebecca E.; Clarke, Leslie-Ann; Slattery, Catherine N.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Magnus, Nicholas A.; Moynihan, Humphrey A.","Exploring the Scope of Asymmetric Synthesis of β-Hydroxy-γ-lactams via Noyori-type Reductions.","Organic letters","2016","18","19","4978","4981","10.1021/acs.orglett.6b02416","","","1.54178","CuKα","","0.087","0.0826","","","0.2296","0.2324","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555768","11.0767","0.0003","6.1023","0.0002","13.1637","0.0004","90","","104.848","0.001","90","","860.07","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","gamma-hydroxy-beta-lactam, methyl cyclohexyl derivative","","","- C19 H27 N O2 -","- C19 H27 N O2 -","- C38 H54 N2 O4 -","2","1","","Lynch, Denis; Deasy, Rebecca E.; Clarke, Leslie-Ann; Slattery, Catherine N.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Magnus, Nicholas A.; Moynihan, Humphrey A.","Exploring the Scope of Asymmetric Synthesis of β-Hydroxy-γ-lactams via Noyori-type Reductions.","Organic letters","2016","18","19","4978","4981","10.1021/acs.orglett.6b02416","","","1.54178","CuKα","","0.0276","0.0272","","","0.074","0.0745","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555769","21.365","0.005","9.334","0.005","26.587","0.005","90","0.005","92.256","0.005","90","0.005","5298","3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-alkylazetidine","","","- C25 H29 N O9 S -","- C25 H31 N O9 S -","- C200 H248 N8 O72 S8 -","8","2","","Ghosh, Asit; Mandal, Subhajit; Chattaraj, Pratim Kumar; Banerjee, Prabal","Ring Expansion of Donor-Acceptor Cyclopropane via Substituent Controlled Selective N-Transfer of Oxaziridine: Synthetic and Mechanistic Insights.","Organic letters","2016","18","19","4940","4943","10.1021/acs.orglett.6b02417","","","0.71073","MoKα","","0.1278","0.0632","","","0.1403","0.1674","","","","","","1.03","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555770","21.286","0.005","12.49","0.005","20.712","0.005","90","0.005","118.061","0.005","90","0.005","4859","3","288","2","288","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Pyrrolidine","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C208 H248 N8 O48 -","8","1","","Ghosh, Asit; Mandal, Subhajit; Chattaraj, Pratim Kumar; Banerjee, Prabal","Ring Expansion of Donor-Acceptor Cyclopropane via Substituent Controlled Selective N-Transfer of Oxaziridine: Synthetic and Mechanistic Insights.","Organic letters","2016","18","19","4940","4943","10.1021/acs.orglett.6b02417","","","0.71073","MoKα","","0.0918","0.0586","","","0.1481","0.1686","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555771","8.651","0.0002","18.3861","0.0005","29.434","0.005","90","","90","","90","","4681.7","0.8","293","2","293","2","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C49 H53 B3 F6 N6 -","- C49 H54 B3 F6 N6 -","- C196 H216 B12 F24 N24 -","4","0.5","","Ozdemir, Tugba; Bila, Jose Luis; Sozmen, Fazli; Yildirim, Leyla T.; Akkaya, Engin U.","Orthogonal Bodipy Trimers as Photosensitizers for Photodynamic Action.","Organic letters","2016","18","19","4821","4823","10.1021/acs.orglett.6b02418","","x-ray","0.71073","MoKα","","0.086","0.0599","","","","0.2036","","","","","","1.107","","","","has coordinates","239101","2020-10-21","18:00:00",""
"1555772","8.6021","0.0013","11.6111","0.0017","16.938","0.003","70.766","0.003","89.038","0.003","68.763","0.003","1478.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H33 N O6 -","- C35 H33 N O6 -","- C70 H66 N2 O12 -","2","1","","Luo, Hejiang; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","A Route to Polysubstituted Aziridines from Carbenes and Imines through a Nondiazo Approach.","Organic letters","2016","18","20","5208","5211","10.1021/acs.orglett.6b02429","","","0.71073","MoKα","","0.0721","0.0526","","","0.1284","0.1425","","","","","","1.02","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555773","9.92","0.002","11.199","0.002","12.122","0.002","64.365","0.004","68.38","0.004","81.92","0.004","1128.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C56 H50 N2 O4 -","2","1","","Luo, Hejiang; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","A Route to Polysubstituted Aziridines from Carbenes and Imines through a Nondiazo Approach.","Organic letters","2016","18","20","5208","5211","10.1021/acs.orglett.6b02429","","","0.71073","MoKα","","0.0754","0.0506","","","0.1298","0.1447","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555774","11.0788","0.0015","11.3956","0.0017","13.782","0.002","74.825","0.003","88.857","0.004","85.704","0.004","1674.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H41 N3 O6 -","- C37 H41 N3 O6 -","- C74 H82 N6 O12 -","2","1","","Luo, Hejiang; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa","A Route to Polysubstituted Aziridines from Carbenes and Imines through a Nondiazo Approach.","Organic letters","2016","18","20","5208","5211","10.1021/acs.orglett.6b02429","","","0.71073","MoKα","","0.1377","0.0713","","","0.1503","0.1865","","","","","","1.009","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555775","5.961","0.005","7.819","0.007","20.316","0.018","90","","90","","90","","946.9","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(E)-1-(1-Chloro-2-nitrovinyl)-4-methylbenzene","","","- C9 H8 Cl N O2 -","- C9 H8 Cl N O2 -","- C36 H32 Cl4 N4 O8 -","4","1","","Gao, Mingchun; Xu, Bin","Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.","Organic letters","2016","18","18","4746","4749","10.1021/acs.orglett.6b02464","","","0.71073","MoKα","","0.0484","0.0391","","","0.1074","0.1143","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555776","6.758","0.005","8.245","0.006","18.741","0.015","90","","90","","90","","1044.2","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Z)-1-Methyl-4-(2-nitro-1-thiocyanatovinyl)benzene","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","","Gao, Mingchun; Xu, Bin","Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.","Organic letters","2016","18","18","4746","4749","10.1021/acs.orglett.6b02464","","","0.71073","MoKα","","0.0433","0.0329","","","0.0767","0.083","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555777","8.018","0.006","16.118","0.013","10.272","0.008","90","","94.878","0.009","90","","1322.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-1-(2-Nitro-1-(p-tolyl)vinyl)piperidine","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Gao, Mingchun; Xu, Bin","Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.","Organic letters","2016","18","18","4746","4749","10.1021/acs.orglett.6b02464","","","0.71073","MoKα","","0.0585","0.0439","","","0.1189","0.129","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555778","12.151","0.002","23.564","0.005","5.864","0.0012","90","","90","","90","","1679","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Li, Jingfu; Chang, Wenju; Ren, Wenlong; Dai, Jie; Shi, Yian","Palladium-Catalyzed Highly Regio- and Enantioselective Hydroesterification of Aryl Olefins with Phenyl Formate.","Organic letters","2016","18","21","5456","5459","10.1021/acs.orglett.6b02467","","","0.71073","MoKα","","0.1316","0.0635","","","0.1199","0.147","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555779","10.2906","0.0011","13.6532","0.0015","15.2519","0.0016","81.694","0.002","78.662","0.002","68.752","0.002","1951.9","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 Br2 O3 -","- C21 H24 Br2 O3 -","- C84 H96 Br8 O12 -","4","2","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.0986","0.0565","","","0.1258","0.1453","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555780","15.8482","0.0007","6.3578","0.0003","12.9413","0.0005","90","","90.951","0.002","90","","1303.78","0.1","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br O -","- C14 H21 Br O -","- C56 H84 Br4 O4 -","4","1","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.0326","0.0255","","","0.0563","0.0585","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555781","10.9219","0.0007","22.3462","0.0014","13.7789","0.0009","90","","90","","90","","3362.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H25 Br O2 -","- C15 H25 Br O2 -","- C120 H200 Br8 O16 -","8","2","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.0848","0.0452","","","0.0983","0.1115","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555782","6.2175","0.0007","13.6079","0.0015","15.1894","0.0016","90","","93.374","0.003","90","","1282.9","0.2","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br O -","- C14 H21 Br O -","- C56 H84 Br4 O4 -","4","1","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.04","0.0279","","","0.0656","0.0694","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555783","31.909","0.002","22.347","0.002","13.1317","0.0009","90","","97.044","0.003","90","","9293.2","1.2","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 Br O2 -","- C15 H25 Br O2 -","- C360 H600 Br24 O48 -","24","3","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.097","0.0754","","","0.1592","0.1685","","","","","","1.113","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555784","10.8777","0.0003","11.0084","0.0003","13.1029","0.0004","112.434","0.001","105.665","0.001","98.631","0.001","1338.75","0.07","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O6 S -","- C31 H27 N O6 S -","- C62 H54 N2 O12 S2 -","2","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","1.54178","CuKα","","0.0479","0.0393","","","0.158","0.1816","","","","","","0.795","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555785","10.0018","0.0006","11.5034","0.0006","12.0989","0.0006","88.001","0.002","75.075","0.002","78.255","0.002","1316.69","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O7 S -","- C31 H25 N O7 S -","- C62 H50 N2 O14 S2 -","2","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","0.71073","MoKα","","0.0592","0.0449","","","0.1419","0.1684","","","","","","0.725","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555786","11.089","0.002","21.075","0.004","12.128","0.002","90","","97.24","0.03","90","","2811.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","0.71073","MoKα","","0.0747","0.0645","","","0.1919","0.1994","","","","","","1.295","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555787","11.544","0.002","14.011","0.003","17.128","0.003","90","","99.02","0.03","90","","2736.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","0.71073","MoKα","","0.0744","0.0673","","","0.2052","0.2122","","","","","","1.42","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555788","9.6744","0.0019","11.557","0.002","12.09","0.002","86.67","0.03","80.45","0.03","87.22","0.03","1329.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O6 S -","- C31 H27 N O6 S -","- C62 H54 N2 O12 S2 -","2","1","","Yang, Yanyan; Liu, Hongxu; Peng, Cheng; Wu, Jie; Zhang, Jingyi; Qiao, Yan; Wang, Xiao-Na; Chang, Junbiao","AlCl<sub>3</sub>-Catalyzed Annulations of Ynamides Involving a Torquoselective Process for the Simultaneous Control of Central and Axial Chirality.","Organic letters","2016","18","19","5022","5025","10.1021/acs.orglett.6b02480","","","0.71073","MoKα","","0.1136","0.0828","","","0.2068","0.2319","","","","","","1.149","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555789","17.864","0.003","23.111","0.004","18.348","0.003","90","","110.537","0.003","90","","7094","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H18 F30 N8 -","- C74 H18 F30 N8 -","- C296 H72 F120 N32 -","4","1","","Kong, Jiahui; Zhang, Qiong; Savage, Mathew; Li, Minzhi; Li, Xin; Yang, Sihai; Liang, Xu; Zhu, Weihua; Ågren, Hans; Xie, Yongshu","Tetra- and Octapyrroles Synthesized from Confusion and Fusion Approaches.","Organic letters","2016","18","19","5046","5049","10.1021/acs.orglett.6b02495","","","0.71073","MoKα","","0.1223","0.0716","","","0.2039","0.2304","","","","","","0.997","","","","has coordinates","239119","2020-10-21","18:00:00",""
"1555790","16.2619","0.0011","30.2509","0.0007","10.0784","0.0007","90","","133.451","0.011","90","","3599.3","0.7","393","2","393","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H18 F15 N5 O -","- C40 H18 F15 N5 O -","- C160 H72 F60 N20 O4 -","4","1","","Kong, Jiahui; Zhang, Qiong; Savage, Mathew; Li, Minzhi; Li, Xin; Yang, Sihai; Liang, Xu; Zhu, Weihua; Ågren, Hans; Xie, Yongshu","Tetra- and Octapyrroles Synthesized from Confusion and Fusion Approaches.","Organic letters","2016","18","19","5046","5049","10.1021/acs.orglett.6b02495","","","1.54184","CuKα","","0.0553","0.0454","","","0.1155","0.122","","","","","","1.043","","","","has coordinates","239120","2020-10-21","18:00:00",""
"1555791","12.7733","0.0012","12.9992","0.0013","14.5801","0.0017","95.103","0.001","107.136","0.002","114.829","0.003","2035.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H19 Cl2 F15 N4 Ni O2 -","- C43 H19 Cl2 F15 N4 Ni O2 -","- C86 H38 Cl4 F30 N8 Ni2 O4 -","2","1","","Kong, Jiahui; Zhang, Qiong; Savage, Mathew; Li, Minzhi; Li, Xin; Yang, Sihai; Liang, Xu; Zhu, Weihua; Ågren, Hans; Xie, Yongshu","Tetra- and Octapyrroles Synthesized from Confusion and Fusion Approaches.","Organic letters","2016","18","19","5046","5049","10.1021/acs.orglett.6b02495","","","1.54178","CuKα","","0.2027","0.0927","","","0.1486","0.1916","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555792","10.4528","0.0003","14.3902","0.0004","8.7251","0.0003","90","","92.7628","0.0015","90","","1310.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O4 S2 -","- C30 H24 N2 O4 S2 -","- C60 H48 N4 O8 S4 -","2","0.5","","Seo, Boram; Kim, Ya Gob; Lee, Phil Ho","Synthesis of Isothiazole via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Nitriles.","Organic letters","2016","18","19","5050","5053","10.1021/acs.orglett.6b02499","","","0.71073","MoKα","","0.1038","0.0913","","","0.239","0.2587","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555793","7.9207","0.0011","9.0758","0.0012","11.1924","0.0015","80.79","0.008","71.85","0.008","65.087","0.007","693.02","0.17","170","2","170","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H22 Br2 N2 O4 S2 -","- C30 H22 Br2 N2 O4 S2 -","- C30 H22 Br2 N2 O4 S2 -","1","1","","Seo, Boram; Kim, Ya Gob; Lee, Phil Ho","Synthesis of Isothiazole via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Nitriles.","Organic letters","2016","18","19","5050","5053","10.1021/acs.orglett.6b02499","","","0.71073","MoKα","","0.0783","0.0435","","","0.0848","0.0968","","","","","","1.008","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555794","9.5374","0.0011","9.5911","0.0012","9.782","0.001","102.386","0.005","108.954","0.004","91.485","0.006","822.15","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br N O2 S -","- C18 H14 Br N O2 S -","- C36 H28 Br2 N2 O4 S2 -","2","1","","Seo, Boram; Kim, Ya Gob; Lee, Phil Ho","Synthesis of Isothiazole via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Nitriles.","Organic letters","2016","18","19","5050","5053","10.1021/acs.orglett.6b02499","","","0.71073","MoKα","","0.0455","0.0327","","","0.0841","0.0904","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555795","16.487","0.002","19.2778","0.0017","18.1092","0.0018","90","","101.874","0.011","90","","5632.5","1","171","4","171","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 Cl6 N4 -","- C66 H62 Cl6 N4 -","- C264 H248 Cl24 N16 -","4","1","","Zhu, Huangtianzhi; Shi, Bingbing; Chen, Kexian; Wei, Peifa; Xia, Danyu; Mondal, Julfikar Hassan; Huang, Feihe","Cyclo[4]carbazole, an Iodide Anion Macrocyclic Receptor.","Organic letters","2016","18","19","5054","5057","10.1021/acs.orglett.6b02500","","x-ray","0.71073","MoKα","","0.1701","0.1013","","","0.2657","0.3038","","","","","","0.961","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555796","31.6291","0.0013","31.6291","0.0013","12.7824","0.0005","90","","90","","120","","11074.3","0.8","170.3","","170.3","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C64 H60 N4 -","- C64 H60 N4 -","- C576 H540 N36 -","9","0.5","","Zhu, Huangtianzhi; Shi, Bingbing; Chen, Kexian; Wei, Peifa; Xia, Danyu; Mondal, Julfikar Hassan; Huang, Feihe","Cyclo[4]carbazole, an Iodide Anion Macrocyclic Receptor.","Organic letters","2016","18","19","5054","5057","10.1021/acs.orglett.6b02500","","","0.71073","MoKα","","0.1051","0.0837","","","0.2344","0.2639","","","","","","1.026","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555797","7.9712","0.0012","7.3926","0.0012","23.378","0.004","90","","94.406","0.002","90","","1373.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.046","0.0425","","","0.1203","0.125","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555798","8.338","0.003","8.477","0.003","9.528","0.003","93.456","0.005","101.166","0.005","104.331","0.005","636","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.0716","0.0576","","","0.1687","0.1843","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555799","14.933","0.004","5.3922","0.0015","25.637","0.007","90","","90","","90","","2064.3","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O -","- C15 H9 N O -","- C120 H72 N8 O8 -","8","2","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.0712","0.0476","","","0.1281","0.1456","","","","","","0.995","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555800","7.2723","0.001","12.1743","0.0016","13.9939","0.0018","90","","90","","90","","1239","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.0485","0.0425","","","0.1173","0.1235","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555801","8.2974","0.0004","13.684","0.0006","15.775","0.0008","90","","90","","90","","1791.12","0.15","290.83","0.1","290.83","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O2 -","- C21 H17 Br O2 -","- C84 H68 Br4 O8 -","4","1","","Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min","Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach.","Organic letters","2016","18","18","4754","4757","10.1021/acs.orglett.6b02516","","x-ray","0.71073","MoKα","","0.0827","0.0464","","","0.0774","0.09","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555802","10.0284","0.0006","17.8821","0.0006","10.2286","0.0004","90","","98.735","0.004","90","","1813.01","0.14","290.83","0.1","290.83","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 O2 -","- C21 H16 Cl2 O2 -","- C84 H64 Cl8 O8 -","4","1","","Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min","Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach.","Organic letters","2016","18","18","4754","4757","10.1021/acs.orglett.6b02516","","x-ray","0.71073","MoKα","","0.0776","0.0508","","","0.1095","0.1279","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555803","7.5712","0.0004","8.8981","0.0007","14.6818","0.0011","76.585","0.007","82.407","0.005","74.099","0.006","922.81","0.12","290.83","0.1","290.83","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 Cl2 O2 -","- C21 H16 Cl2 O2 -","- C42 H32 Cl4 O4 -","2","1","","Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min","Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach.","Organic letters","2016","18","18","4754","4757","10.1021/acs.orglett.6b02516","","x-ray","0.71073","MoKα","","0.0871","0.0493","","","0.0967","0.1217","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555804","10.098","0.0011","12.6554","0.0014","15.8728","0.0016","103.793","0.001","91.637","0.001","111.127","0.002","1822.8","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","2","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0418","0.0378","","","0.1046","0.107","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555805","11.17","0.002","16.077","0.003","8.4209","0.0018","90","","108.359","0.004","90","","1435.3","0.5","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0404","0.036","","","0.1019","0.1051","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555806","11.1107","0.0012","9.7397","0.001","15.8289","0.0016","90","","101.488","0.002","90","","1678.6","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0412","0.0368","","","0.0998","0.1028","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555807","10.6778","0.0012","15.1304","0.0017","20.376","0.002","90","","90","","90","","3291.9","0.6","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","1","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0379","0.035","","","0.0972","0.0994","","","","","","1.076","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555808","5.86821","0.00012","16.6995","0.0003","20.8172","0.0005","90","","90","","90","","2040.01","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 F N2 O3 -","- C24 H19 F N2 O3 -","- C96 H76 F4 N8 O12 -","4","1","","Guo, Songsong; Liu, Xiaohua; Shen, Bin; Lin, Lili; Feng, Xiaoming","Organocatalytic Asymmetric Cascade Reaction of 2-Hydroxyphenyl-Substituted Enones and Isocyanates To Construct 1,3-Benzoxazin-2-ones.","Organic letters","2016","18","19","5070","5073","10.1021/acs.orglett.6b02522","","x-ray","1.54184","CuKα","","0.0553","0.0503","","","0.1358","0.1434","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555809","12.179","0.003","12.639","0.003","15.612","0.003","95.437","0.005","101.771","0.005","115.319","0.005","2081.2","0.8","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O3 S -","- C20 H24 Cl N O3 S -","- C80 H96 Cl4 N4 O12 S4 -","4","2","","Yabuuchi, Yuto; Kuzuguchi, Takeo; Yoshimura, Tomoyuki; Matsuo, Jun-Ichi","Synthesis of α-Halo-γ-hydroxyenamides by Titanium Tetrahalide Mediated Addition of Aldehydes or Ketones to Ynamides.","Organic letters","2016","18","19","4951","4953","10.1021/acs.orglett.6b02526","","","0.71075","MoKα","","0.1163","0.056","","","0.1569","0.2262","","","","","","1.141","","","","has coordinates","239137","2020-10-21","18:00:00",""
"1555810","30.1678","0.0018","8.0311","0.0007","14.2794","0.001","90","","100.975","0.0018","90","","3396.4","0.4","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C136 H144 Cl8 N8 O16 S8 -","8","1","","Yabuuchi, Yuto; Kuzuguchi, Takeo; Yoshimura, Tomoyuki; Matsuo, Jun-Ichi","Synthesis of α-Halo-γ-hydroxyenamides by Titanium Tetrahalide Mediated Addition of Aldehydes or Ketones to Ynamides.","Organic letters","2016","18","19","4951","4953","10.1021/acs.orglett.6b02526","","","0.71075","MoKα","","","0.043","","","","0.1313","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555811","19.24","0.004","21.296","0.004","14.917","0.003","90","","111.847","0.002","90","","5673","2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 -","- C35 H31 N7 -","- C280 H248 N56 -","8","2","","Liu, Yang; Long, Chao; Zhao, Liang; Wang, Mei-Xiang","Functionalization of Azacalixaromatics by Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between the Arene C-H Bond and Boronic Acids.","Organic letters","2016","18","19","5078","5081","10.1021/acs.orglett.6b02530","","","0.71073","MoKα","","0.094","0.0775","","","0.1335","0.1403","","","","","","1.234","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555812","17.296","0.0012","10.5965","0.0007","15.8781","0.0012","90","","101.794","0.008","90","","2848.7","0.4","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 -","- C35 H31 N7 -","- C140 H124 N28 -","4","1","","Liu, Yang; Long, Chao; Zhao, Liang; Wang, Mei-Xiang","Functionalization of Azacalixaromatics by Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between the Arene C-H Bond and Boronic Acids.","Organic letters","2016","18","19","5078","5081","10.1021/acs.orglett.6b02530","","","0.71073","MoKα","","0.1145","0.057","","","0.1082","0.1386","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555813","9.3674","0.0005","22.177","0.0012","11.7","0.0007","90","","106.835","0.002","90","","2326.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O4 S -","- C27 H23 N O4 S -","- C108 H92 N4 O16 S4 -","4","1","","Guo, Songjin; Yuan, Kai; Gu, Meng; Lin, Aijun; Yao, Hequan","Rh(III)-Catalyzed Cascade Annulation/C-H Activation of o-Ethynylanilines with Diazo Compounds: One-Pot Synthesis of Benzo[a]carbazoles via 1,4-Rhodium Migration.","Organic letters","2016","18","20","5236","5239","10.1021/acs.orglett.6b02534","","","0.71073","MoKα","","0.1088","0.0672","","","0.1842","0.204","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555814","9.7091","0.0015","10.2062","0.0017","12.3","0.002","79.629","0.014","69.436","0.015","72.515","0.014","1084.7","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 O S2 -","- C27 H24 O S2 -","- C54 H48 O2 S4 -","2","1","","Liang, Yongping; Lai, Junshan; Liu, Teng; Tang, Shouchu","Direct Regioselective [3 + 2]-Cyclization Reactions of Ambivalent Electrophilic/Nucleophilic β-Chlorovinyl Dithianes: Access to Cyclopentene Derivatives.","Organic letters","2016","18","19","5086","5089","10.1021/acs.orglett.6b02536","","x-ray","0.71073","MoKα","","0.0608","0.0424","","","0.0859","0.0987","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555815","15.4129","0.0003","9.30538","0.00016","15.704","0.0003","90","","99.233","0.0019","90","","2223.13","0.07","291.48","0.1","291.48","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O S2 -","- C27 H24 O S2 -","- C108 H96 O4 S8 -","4","1","","Liang, Yongping; Lai, Junshan; Liu, Teng; Tang, Shouchu","Direct Regioselective [3 + 2]-Cyclization Reactions of Ambivalent Electrophilic/Nucleophilic β-Chlorovinyl Dithianes: Access to Cyclopentene Derivatives.","Organic letters","2016","18","19","5086","5089","10.1021/acs.orglett.6b02536","","x-ray","1.54184","CuKα","","0.0446","0.0384","","","0.1016","0.1084","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555816","6.2163","0.0006","23.306","0.002","11.8875","0.0012","90","","96.96","0.001","90","","1709.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Zhang, Ming-Liang; Wu, Zhi-Jun; Zhao, Jian-Qiang; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Michael Addition-Lactonization of Arylacetyl Phosphonate to β,γ-Unsaturated α-Keto Esters for the Synthesis of Chiral syn-3,4-Dihydropyranones and 5,6-Dihydropyranones.","Organic letters","2016","18","19","5110","5113","10.1021/acs.orglett.6b02558","","","0.71073","MoKα","","0.0433","0.0393","","","0.1041","0.1069","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555817","6.86","0.001","10.8272","0.0016","22.448","0.003","90","","90","","90","","1667.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Zhang, Ming-Liang; Wu, Zhi-Jun; Zhao, Jian-Qiang; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Michael Addition-Lactonization of Arylacetyl Phosphonate to β,γ-Unsaturated α-Keto Esters for the Synthesis of Chiral syn-3,4-Dihydropyranones and 5,6-Dihydropyranones.","Organic letters","2016","18","19","5110","5113","10.1021/acs.orglett.6b02558","","","0.71073","MoKα","","0.0381","0.0286","","","0.0585","0.061","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555818","7.4297","0.0009","13.2923","0.0017","23.557","0.003","90","","90","","90","","2326.4","0.5","193","2","193","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C29 H23 O2 P Se -","- C29 H23 O2 P Se -","- C116 H92 O8 P4 Se4 -","4","1","","Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki","Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.","Organic letters","2016","18","20","5264","5267","10.1021/acs.orglett.6b02578","","","0.71075","MoKα","","0.0325","0.0278","","","0.0477","0.0494","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555819","7.48","0.002","16.779","0.004","19.319","0.005","90","","90","","90","","2424.7","1.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 O2 P Se -","- C30 H25 O2 P Se -","- C120 H100 O8 P4 Se4 -","4","1","","Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki","Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.","Organic letters","2016","18","20","5264","5267","10.1021/acs.orglett.6b02578","","","0.71075","MoKα","","0.1112","0.0665","","","0.1068","0.1273","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555820","11.8545","0.0012","15.6874","0.0016","16.0313","0.0017","90","","90","","90","","2981.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H27 O4 P Se -","- C36 H29 O3 P Se -","- C144 H116 O12 P4 Se4 -","4","1","","Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki","Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.","Organic letters","2016","18","20","5264","5267","10.1021/acs.orglett.6b02578","","","0.71075","MoKα","","0.0528","0.0483","","","0.1355","0.1407","","","","","","1.03","","","","has coordinates","239148","2020-10-21","18:00:00",""
"1555821","8.4714","0.0001","6.2472","0.00006","17.1326","0.0003","90","","101.606","0.002","90","","888.16","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Akula, Ramulu; Guiry, Patrick J.","Enantioselective Synthesis of α-Allyl-α-aryldihydrocoumarins and 3-Isochromanones via Pd-Catalyzed Decarboxylative Asymmetric Allylic Alkylation.","Organic letters","2016","18","21","5472","5475","10.1021/acs.orglett.6b02584","","","1.54184","CuKα","","0.0295","0.0277","","","0.0708","0.0723","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555822","7.5079","0.0009","14.0053","0.0017","29.564","0.004","90","","90","","90","","3108.7","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Li, Deng Yuan; Jiang, Liang Liang; Chen, Shuang; Huang, Zheng Lu; Dang, Li; Wu, Xin Yan; Liu, Pei Nian","Cascade Reaction of Alkynols and 7-Oxabenzonorbornadienes Involving Transient Hemiketal Group Directed C-H Activation and Synergistic Rh<sup>III</sup>/Sc<sup>III</sup> Catalysis.","Organic letters","2016","18","19","5134","5137","10.1021/acs.orglett.6b02587","","","0.71073","MoKα","","0.0656","0.049","","","0.1201","0.1313","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555823","16.6039","0.0015","12.5136","0.0011","9.0084","0.0008","90","","101.188","0.0018","90","","1836.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Br2 N2 O -","- C23 H12 Br2 N2 O -","- C92 H48 Br8 N8 O4 -","4","1","","Lin, Dongqing; Wei, Ying; Ou, Changjin; Huang, Hao; Xie, Linghai; Tang, Lei; Huang, Wei","Carbon Cationic Relay via Superelectrophiles: Synthesis of Spiro-diazafluorenes.","Organic letters","2016","18","24","6220","6223","10.1021/acs.orglett.6b02595","","x-ray","0.71073","MoKα","","0.1043","0.0871","","","0.1733","0.1823","","","","","","1.148","","","","has coordinates","239151","2020-10-21","18:00:00",""
"1555824","9.7672","0.0004","11.7742","0.0004","24.7073","0.0009","101.224","0.001","93.188","0.001","112.05","0.001","2557.16","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 O9 S -","- C27 H28 O9 S -","- C108 H112 O36 S4 -","4","2","","Huang, Lin; Ye, Liu; Li, Xiao-Hua; Li, Zhong-Liang; Lin, Jin-Shun; Liu, Xin-Yuan","Stereoselective Radical Cyclization Cascades Triggered by Addition of Diverse Radicals to Alkynes To Construct 6(5)-6-5 Fused Rings.","Organic letters","2016","18","20","5284","5287","10.1021/acs.orglett.6b02599","","","1.54178","CuKα","","0.0344","0.0341","","","0.0858","0.0861","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555825","6.9696","0.0012","7.0783","0.0012","16.56","0.003","101.962","0.006","93.626","0.006","94.073","0.006","794.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br F3 N2 O -","- C16 H10 Br F3 N2 O -","- C32 H20 Br2 F6 N4 O2 -","2","1","","Huang, Lin; Ye, Liu; Li, Xiao-Hua; Li, Zhong-Liang; Lin, Jin-Shun; Liu, Xin-Yuan","Stereoselective Radical Cyclization Cascades Triggered by Addition of Diverse Radicals to Alkynes To Construct 6(5)-6-5 Fused Rings.","Organic letters","2016","18","20","5284","5287","10.1021/acs.orglett.6b02599","","","0.71073","MoKα","","0.0346","0.0308","","","0.0808","0.0831","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555826","7.6607","0.0007","9.2315","0.0007","11.127","0.0008","72.019","0.007","79.887","0.007","74.428","0.007","717.29","0.11","293.6","0.1","293.6","0.1","","","","","","","","3","P 1","P 1","1","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C36 H28 O6 -","2","2","","Zhu, Gongming; Bao, Guangjun; Li, Yiping; Yang, Junxian; Sun, Wangsheng; Li, Jing; Hong, Liang; Wang, Rui","Chiral Phosphoric Acid Catalyzed Asymmetric Oxidative Dearomatization of Naphthols with Quinones.","Organic letters","2016","18","20","5288","5291","10.1021/acs.orglett.6b02609","","x-ray","1.54184","CuKα","","0.0699","0.0429","","","0.0958","0.1185","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555827","8.542","0.003","10.786","0.004","18.502","0.007","90","","102.652","0.007","90","","1663.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Zhang, Fangfang; Qin, Zhengchen; Kong, Lingkai; Zhao, Yulei; Liu, Yuanyuan; Li, Yanzhong","Metal/Benzoyl Peroxide (BPO)-Controlled Chemoselective Cycloisomerization of (o-Alkynyl)phenyl Enaminones: Synthesis of α-Naphthylamines and Indeno[1,2-c]pyrrolones.","Organic letters","2016","18","19","5150","5153","10.1021/acs.orglett.6b02615","","","0.71073","MoKα","","0.0571","0.0407","","","0.1036","0.1135","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555828","8.369","0.007","9.476","0.008","11.907","0.01","108.133","0.015","106.771","0.016","92.352","0.018","850.3","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O -","- C23 H17 N O -","- C46 H34 N2 O2 -","2","1","","Zhang, Fangfang; Qin, Zhengchen; Kong, Lingkai; Zhao, Yulei; Liu, Yuanyuan; Li, Yanzhong","Metal/Benzoyl Peroxide (BPO)-Controlled Chemoselective Cycloisomerization of (o-Alkynyl)phenyl Enaminones: Synthesis of α-Naphthylamines and Indeno[1,2-c]pyrrolones.","Organic letters","2016","18","19","5150","5153","10.1021/acs.orglett.6b02615","","","0.71073","MoKα","","0.1038","0.0745","","","0.1903","0.2213","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555829","5.5545","0.0008","22.3478","0.0018","25.462","0.003","90","","94.477","0.001","90","","3151","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C144 H112 N16 O32 -","8","2","","Meng, Ling-Hong; Wang, Chen-Yin; Mándi, Attila; Li, Xiao-Ming; Hu, Xue-Yi; Kassack, Matthias U.; Kurtán, Tibor; Wang, Bin-Gui","Three Diketopiperazine Alkaloids with Spirocyclic Skeletons and One Bisthiodiketopiperazine Derivative from the Mangrove-Derived Endophytic Fungus Penicillium brocae MA-231.","Organic letters","2016","18","20","5304","5307","10.1021/acs.orglett.6b02620","","","1.54178","CuKα","","0.1148","0.0737","","","0.1505","0.168","","","","","","1.163","","","","has coordinates","239157","2020-10-21","18:00:00",""
"1555830","6.7535","0.0002","10.0644","0.0002","12.3488","0.0003","90","","91.205","0.001","90","","839.16","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","YS-69-53","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Shi, Yunlong; Pierce, Joshua G.","Stereocontrolled Synthesis of (+)-Plagiogyrin A.","Organic letters","2016","18","20","5308","5311","10.1021/acs.orglett.6b02629","","","0.71073","MoKα","","0.0426","0.0362","","","0.0862","0.0909","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555831","8.8256","0.0003","9.3741","0.0004","10.7509","0.0004","69.044","0.002","81.513","0.002","81.953","0.002","817.85","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","YS-88-24","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Shi, Yunlong; Pierce, Joshua G.","Stereocontrolled Synthesis of (+)-Plagiogyrin A.","Organic letters","2016","18","20","5308","5311","10.1021/acs.orglett.6b02629","","","0.71073","MoKα","","0.0461","0.037","","","0.0895","0.0948","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555832","9.4188","0.0002","11.1969","0.0003","12.4356","0.0003","101.95","0.002","109.822","0.002","95.373","0.002","1187.75","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O9 -","- C25 H30 N2 O9 -","- C50 H60 N4 O18 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0837","0.0722","","","0.2066","0.2233","","","","","","1.048","","","","has coordinates,has disorder","239160","2020-10-21","18:00:00",""
"1555833","8.5998","0.0003","9.2091","0.0005","13.2372","0.0007","84.15","0.004","72.472","0.004","64.512","0.005","901.91","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","0.71073","MoKα","","0.0627","0.0493","","","0.1212","0.13","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555834","7.26017","0.00016","9.48057","0.00019","11.4368","0.0003","90","","91.943","0.002","90","","786.75","0.03","100.05","0.1","100.05","0.1","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C9 H6 O5 -","- C9 H6 O5 -","- C36 H24 O20 -","4","2","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0415","0.0385","","","0.1005","0.1035","","","","","","1.037","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555835","8.8765","0.0003","9.1065","0.0003","9.7523","0.0003","96.026","0.003","90.185","0.002","110.137","0.003","735.38","0.04","100","0.14","100","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C30 H42 N2 O10 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0431","0.0381","","","0.1021","0.107","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555836","12.8414","0.0003","7.46056","0.00017","15.3814","0.0004","90","","101.17","0.003","90","","1445.69","0.06","100.05","0.1","100.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Cl O3 -","- C8 H5 Cl O3 -","- C64 H40 Cl8 O24 -","8","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0379","0.0355","","","0.087","0.0893","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555837","9.36155","0.00018","12.6426","0.0002","22.9131","0.0005","90","","90.3246","0.0017","90","","2711.82","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O5 -","- C35 H34 N2 O5 -","- C140 H136 N8 O20 -","4","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0497","0.0411","","","0.1016","0.1077","","","","","","1.019","","","","has coordinates","239165","2020-10-21","18:00:00",""
"1555838","7.61287","0.0001","18.37433","0.0002","18.9503","0.0002","90","","90","","90","","2650.79","0.05","99.8","0.2","99.8","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Cl N2 O3 -","- C34 H33 Cl N2 O3 -","- C136 H132 Cl4 N8 O12 -","4","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0638","0.0616","","","0.1543","0.1575","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555839","8.3659","0.0008","8.5097","0.001","13.3207","0.0017","108.425","0.011","106.74","0.01","90.498","0.009","856.37","0.19","99.95","0.1","99.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C42 H40 Cl2 N2 O6 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","0.71073","MoKα","","0.15","0.0905","","","0.1475","0.1691","","","","","","1.103","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555840","9.6296","0.0004","11.8041","0.0007","14.0277","0.0008","96.799","0.005","105.982","0.004","92.907","0.004","1516.29","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 N2 O8 -","- C35 H40 N2 O8 -","- C70 H80 N4 O16 -","2","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0924","0.061","","","0.1563","0.1772","","","","","","1.072","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555841","5.8328","0.0001","14.6676","0.0003","14.1401","0.0003","90","","106.475","0.001","90","","1160.06","0.04","203","2","203","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N2 O S -","- C12 H13 N2 O S -","- C48 H52 N8 O4 S4 -","4","1","","Andeme Edzang, Judicaelle; Chen, Zhongrui; Audi, Hassib; Canard, Gabriel; Siri, Olivier","Transamination at the Crossroad of the One-Pot Synthesis of N-Substituted Quinonediimines and C-Substituted Benzobisimidazoles.","Organic letters","2016","18","20","5340","5343","10.1021/acs.orglett.6b02640","","x-ray","0.71073","MoKα","","0.0687","0.0487","","","0.1383","0.1671","","","","","","1.154","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555842","6.5009","0.0003","8.0222","0.0006","11.3792","0.0007","85.438","0.006","77.389","0.005","72.879","0.006","553.39","0.06","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H20 N2 -","- C11 H20 N2 -","- C22 H40 N4 -","2","1","","Andeme Edzang, Judicaelle; Chen, Zhongrui; Audi, Hassib; Canard, Gabriel; Siri, Olivier","Transamination at the Crossroad of the One-Pot Synthesis of N-Substituted Quinonediimines and C-Substituted Benzobisimidazoles.","Organic letters","2016","18","20","5340","5343","10.1021/acs.orglett.6b02640","","x-ray","1.54184","CuKα","","0.0491","0.0443","","","0.1227","0.1284","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555843","8.8495","0.0006","15.8052","0.0011","14.3121","0.001","90","","95.864","0.002","90","","1991.3","0.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Gratia, Synthia; Mosesohn, Kathryn; Diver, Steven T.","Highly Selective Ring Expansion of Bicyclo[3.1.0]hexenes.","Organic letters","2016","18","20","5320","5323","10.1021/acs.orglett.6b02641","","x-ray","0.71073","MoKα","","0.0583","0.0449","","","0.1026","0.1106","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555844","8.8501","0.001","9.6086","0.0011","10.7805","0.0012","74.645","0.002","86.219","0.002","69.215","0.001","826.09","0.16","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C42 H44 N4 -","2","1","","Song, Runzhe; Han, Zhaomeng; He, Qiuqin; Fan, Renhua","Amine-Mediated Transimination and Aromatization-Triggered Domino Reaction in the Synthesis of Polyfunctionalized 4-Aminoquinolines.","Organic letters","2016","18","20","5328","5331","10.1021/acs.orglett.6b02643","","","0.71073","MoKα","","0.0574","0.0473","","","0.1443","0.1716","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555845","8.5881","0.0007","15.4507","0.0011","8.7345","0.0006","90","","99.603","0.008","90","","1142.76","0.15","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","1.54184","CuKα","","0.0598","0.0551","","","0.149","0.1555","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555846","15.8269","0.0002","5.82087","0.00013","20.8138","0.0004","90","","90","","90","","1917.5","0.06","297.9","0.5","297.9","0.5","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H22 O7 -","- C22 H22 O7 -","- C88 H88 O28 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","1.54183","CuKα","","0.0519","0.0503","","","0.1437","0.1466","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555847","6.8052","0.0004","10.2396","0.0008","15.216","0.0009","90","","100.317","0.006","90","","1043.15","0.12","291.76","0.1","291.76","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.0656","0.0478","","","0.1127","0.124","","","","","","1.106","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555848","14.9062","0.0006","8.6079","0.0005","17.2918","0.001","90","","90","","90","","2218.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.1361","0.0889","","","0.2426","0.2934","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555849","25.983","0.002","5.7576","0.0005","10.4224","0.0011","90","","100.35","0.009","90","","1533.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.1725","0.0845","","","0.2153","0.2818","","","","","","1.035","","","","has coordinates,has disorder","239177","2020-10-21","18:00:00",""
"1555850","8.27","0.005","8.534","0.006","13.743","0.009","90","","90.047","0.006","90","","969.9","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.0976","0.0719","","","0.1958","0.2265","","","","","","0.934","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555851","7.236","0.0012","8.5114","0.0015","11.77","0.003","107.206","0.012","104.236","0.013","99.256","0.009","649.5","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","(E)-methyl 3-(3-acetyl-1-methyl-1H-indol-2-yl)acrylate","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C30 H30 N2 O6 -","2","1","","Lanke, Veeranjaneyulu; Bettadapur, Kiran R.; Prabhu, Kandikere Ramaiah","Electronic Nature of Ketone Directing Group as a Key To Control C-2 vs C-4 Alkenylation of Indoles.","Organic letters","2016","18","21","5496","5499","10.1021/acs.orglett.6b02698","","","0.71073","MoKα","","0.1352","0.1283","","","0.4228","0.428","","","","","","1.948","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555852","28.703","0.003","13.0666","0.0014","8.1548","0.0009","90","","106.279","0.007","90","","2935.8","0.6","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-methyl 3-(1-methyl-3-(2,2,2-trifluoroacetyl)-1H-indol-4-yl)acrylate","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C120 H96 F24 N8 O24 -","8","2","","Lanke, Veeranjaneyulu; Bettadapur, Kiran R.; Prabhu, Kandikere Ramaiah","Electronic Nature of Ketone Directing Group as a Key To Control C-2 vs C-4 Alkenylation of Indoles.","Organic letters","2016","18","21","5496","5499","10.1021/acs.orglett.6b02698","","","0.71073","MoKα","","0.1606","0.1282","","","0.3334","0.352","","","","","","1.22","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555853","12.0449","0.0008","17.559","0.0003","11.278","0.0002","90","","105.674","0.007","90","","2296.56","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O7 S -","- C23 H23 N O7 S -","- C92 H92 N4 O28 S4 -","4","1","","Yuan, Hao; Gong, Jianxian; Yang, Zhen","Stereoselective Synthesis of Oxabicyclo[2.2.1]heptenes via a Tandem Dirhodium(II)-Catalyzed Triazole Denitrogenation and [3 + 2] Cycloaddition.","Organic letters","2016","18","21","5500","5503","10.1021/acs.orglett.6b02703","","","1.54187","CuKα","","0.093","0.0825","","","0.1972","0.2184","","","","","","1.316","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555854","16.125","0.006","19.416","0.006","9.015","0.003","90","","102.099","0.016","90","","2759.7","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O7 S -","- C28 H31 N O7 S -","- C112 H124 N4 O28 S4 -","4","1","","Yuan, Hao; Gong, Jianxian; Yang, Zhen","Stereoselective Synthesis of Oxabicyclo[2.2.1]heptenes via a Tandem Dirhodium(II)-Catalyzed Triazole Denitrogenation and [3 + 2] Cycloaddition.","Organic letters","2016","18","21","5500","5503","10.1021/acs.orglett.6b02703","","","1.54187","CuKα","","0.1165","0.0815","","","0.2105","0.2595","","","","","","1.371","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555855","10.264","0.003","17.364","0.005","21.635","0.007","90","","93.165","0.009","90","","3850","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C168 H184 N8 O24 S8 -","8","2","","Yuan, Hao; Gong, Jianxian; Yang, Zhen","Stereoselective Synthesis of Oxabicyclo[2.2.1]heptenes via a Tandem Dirhodium(II)-Catalyzed Triazole Denitrogenation and [3 + 2] Cycloaddition.","Organic letters","2016","18","21","5500","5503","10.1021/acs.orglett.6b02703","","","1.5418","CuKα","","0.131","0.0915","","","0.2809","0.3499","","","","","","1.176","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555856","7.5003","0.0003","8.43","0.0002","12.7367","0.0007","91.619","0.004","101.145","0.004","98.005","0.003","781.16","0.06","98","2","98","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C42 H32 N4 O2 -","2","1","","Stephens, David E.; Nguyen, Vu T.; Chhetri, Bhuwan; Clark, Emily R.; Arman, Hadi D.; Larionov, Oleg V.","Organocatalytic Synthesis of Methylene-Bridged N-Heterobiaryls.","Organic letters","2016","18","22","5808","5811","10.1021/acs.orglett.6b02719","","","0.71073","MoKα","","0.0608","0.0514","","","0.1247","0.1289","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555857","9.2699","0.0002","17.2089","0.0003","10.2868","0.0002","90","","104.856","0.0009","90","","1586.14","0.05","150","","150","","","","","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","0.71073","MoKα","","0.0746","0.0509","","0.1374","0.1121","0.1374","","","","","","0.9466","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555858","11.6533","0.0002","10.6806","0.0002","13.6153","0.0003","90","","109.726","0.0008","90","","1595.18","0.05","150","","150","","","","","","","","synthesis","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","0.71073","MoKα","","0.0649","0.045","","0.1132","0.0989","0.1132","","","","","","0.9395","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555859","12.2019","0.0001","15.5905","0.0001","21.6362","0.0001","90","","90","","90","","4115.93","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 -","- C21 H23 Br N2 O4 -","- C168 H184 Br8 N16 O32 -","8","2","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","1.5418","CuKα","","0.0212","0.0205","","0.0513","0.0509","0.0513","","","","","","1.0028","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555860","32.715","0.006","32.715","0.006","20.819","0.004","90","","90","","90","","22282","7","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C116 H122 B2 F4 N8 O6 -","- C116 H122 B2 F4 N8 O6 -","- C928 H976 B16 F32 N64 O48 -","8","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.0494","0.0444","","","0.1102","0.1132","","","","","","1.026","","","","has coordinates","239185","2020-10-21","18:00:00",""
"1555861","24.962","0.002","19.0061","0.0018","15.2293","0.0013","90","","104.651","0.006","90","","6990.3","1.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C85 H80 N6 O3 -","- C85 H80 N6 O3 -","- C340 H320 N24 O12 -","4","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.1226","0.0595","","","0.1474","0.1821","","","","","","1.013","","","","has coordinates","239186","2020-10-21","18:00:00",""
"1555862","50.36","0.007","16.491","0.002","26.798","0.004","90","","119.019","0.003","90","","19461","5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C104 H96 N8 O4 -","- C104 H96 N8 O4 -","- C832 H768 N64 O32 -","8","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.1384","0.0815","","","0.1533","0.1681","","","","","","1.073","","","","has coordinates","239187","2020-10-21","18:00:00",""
"1555863","14.8093","0.0017","20.899","0.002","23.578","0.003","85.057","0.001","76.172","0.002","73.381","0.002","6788.6","1.3","120","","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C130 H115 N10 O5 -","- C130 H115 N10 O5 -","- C260 H230 N20 O10 -","2","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.1341","0.0771","","","0.1755","0.1928","","","","","","1.003","","","","has coordinates","239188","2020-10-21","18:00:00",""
"1555864","14.2376","0.0006","19.4354","0.0008","29.2846","0.0012","90","","97.352","0.002","90","","8036.8","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 B3 Cl6 F6 N8 O3 -","- C84 H77 B3 Cl6 F6 N8 O3 -","- C336 H308 B12 Cl24 F24 N32 O12 -","4","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.174","0.128","","","0.3554","0.3736","","","","","","2.408","","","","has coordinates","239189","2020-10-21","18:00:00",""
"1555865","22.2417","0.0015","22.2417","0.0015","12.1892","0.001","90","","90","","90","","6029.9","0.8","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C104 H92 B4 F8 N8 O4 -","- C104 H92 B4 F8 N8 O4 -","- C208 H184 B8 F16 N16 O8 -","2","0.25","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.0496","0.0472","","","0.1012","0.1024","","","","","","1.108","","","","has coordinates","239190","2020-10-21","18:00:00",""
"1555866","20.228","0.002","10.5483","0.001","18.6443","0.0017","90","","92.898","0.002","90","","3973.1","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 N4 O2 -","- C52 H48 N4 O2 -","- C208 H192 N16 O8 -","4","0.5","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.0493","0.0448","","","0.1273","0.1319","","","","","","1.054","","","","has coordinates","239191","2020-10-21","18:00:00",""
"1555867","8.072","0.004","12.922","0.006","15.704","0.007","90","","90","","90","","1638","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C68 H72 Cl4 N4 O8 S4 -","4","1","","Song, Guangjun; Zheng, Ziwei; Wang, Yanhui; Yu, Xinhong","Pd-Catalyzed Site-Selective p-Hydroxyphenyloxylation of Benzylic α-C(sp<sup>3</sup>)-H Bonds with 1,4-Benzoquinone.","Organic letters","2016","18","23","6002","6005","10.1021/acs.orglett.6b02782","","","0.71073","MoKα","","0.1663","0.0816","","","0.1546","0.1816","","","","","","0.957","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555868","20.4233","0.0013","28.5691","0.0018","33.289","0.002","90","","90","","90","","19423","2","173","","173","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C90.5 H69 Br4 Cl5 N4 O8 S4 -","- C90.5 H69 Br4 Cl5 N4 O8 S4 -","- C724 H552 Br32 Cl40 N32 O64 S32 -","8","1","","Arai, Takayoshi; Miyazaki, Tomoya; Ogawa, Hiroki; Masu, Hyuma","PyBidine-Ni(OAc)<sub>2</sub>-Catalyzed Michael/Aldol Reaction of Methyleneindolinones and Thiosalicylaldehydes for Stereochemically Divergent Thiochromanyl-spirooxindoles.","Organic letters","2016","18","22","5824","5827","10.1021/acs.orglett.6b02783","","","0.71073","MoKα","","0.0792","0.0564","","","0.1421","0.1521","","","","","","0.994","","","","has coordinates,has disorder","239193","2020-10-21","18:00:00",""
"1555869","6.01931","0.00018","16.3547","0.0007","19.4786","0.0006","90","","90","","90","","1917.55","0.12","292.3","0.2","292.3","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N O2 -","- C22 H21 Cl N O2 -","- C88 H84 Cl4 N4 O8 -","4","1","","Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts.","Organic letters","2016","18","21","5540","5543","10.1021/acs.orglett.6b02785","","x-ray","0.71073","MoKα","","0.0559","0.0475","","","0.1245","0.1335","","","","","","1.054","","","","has coordinates","239194","2020-10-21","18:00:00",""
"1555870","7.0663","0.0004","8.3624","0.0005","8.9048","0.0007","115.442","0.007","109.848","0.006","92.591","0.005","435.48","0.06","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C20 H21 N O2 -","1","1","","Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts.","Organic letters","2016","18","21","5540","5543","10.1021/acs.orglett.6b02785","","x-ray","1.54184","CuKα","","0.0673","0.0669","","","0.1472","0.1484","","","","","","1.125","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555871","16.7926","0.0013","23.6471","0.0019","19.7202","0.0015","90","","91.4006","0.0015","90","","7828.5","1.1","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C142 H123 Cl8 Cu10 I10 N18 O12 -","- C138 H115 Cu10 I10 N18 O12 -","- C276 H230 Cu20 I20 N36 O24 -","2","1","","Dasgupta, Srimoyee; Liu, Jixin; Shoffler, Clarissa A.; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective, Copper-Catalyzed Alkynylation of Ketimines To Deliver Isoquinolines with α-Diaryl Tetrasubstituted Stereocenters.","Organic letters","2016","18","23","6006","6009","10.1021/acs.orglett.6b02787","","","0.71073","MoKα","","0.0965","0.0535","","","0.1197","0.1335","","","","","","0.907","","","","has coordinates","239196","2020-10-21","18:00:00",""
"1555872","8.7464","0.0004","9.4368","0.0004","11.5501","0.0006","90","","93.365","0.002","90","","951.68","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C50 H38 N2 O4 -","2","1","","Dasgupta, Srimoyee; Liu, Jixin; Shoffler, Clarissa A.; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective, Copper-Catalyzed Alkynylation of Ketimines To Deliver Isoquinolines with α-Diaryl Tetrasubstituted Stereocenters.","Organic letters","2016","18","23","6006","6009","10.1021/acs.orglett.6b02787","","","1.54178","CuKα","","0.0458","0.0411","","","0.1157","0.1207","","","","","","1.122","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555873","12.5479","0.0018","12.643","0.002","13.1867","0.0019","62.564","0.003","77.54","0.003","80.141","0.004","1806.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H76 Cd2 Cl8 N24 O23 -","- C44 H50 Cd2 Cl8 N24 O13 -","- C44 H50 Cd2 Cl8 N24 O13 -","1","0.5","","Shen, Fang-Fang; Chen, Kai; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Cong, Hang","Mono- and Dihydroxylated Symmetrical Octamethylcucurbiturils and Allylated Derivatives.","Organic letters","2016","18","21","5544","5547","10.1021/acs.orglett.6b02789","","","0.71073","MoKα","","0.1209","0.0814","","","0.2226","0.243","","","","","","1.075","","","","has coordinates","239198","2020-10-21","18:00:00",""
"1555874","12.4005","0.0017","12.7258","0.0018","34.039","0.005","83.66","0.003","83.95","0.003","82.86","0.004","5274.4","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H138 N36 O51 -","- C66 H73 N36 O21 -","- C132 H146 N72 O42 -","2","1","","Shen, Fang-Fang; Chen, Kai; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Cong, Hang","Mono- and Dihydroxylated Symmetrical Octamethylcucurbiturils and Allylated Derivatives.","Organic letters","2016","18","21","5544","5547","10.1021/acs.orglett.6b02789","","","0.71073","MoKα","","0.1333","0.0979","","","0.2804","0.3018","","","","","","1.038","","","","has coordinates","239199","2020-10-21","18:00:00",""
"1555875","8.4386","0.0013","10.3727","0.0016","15.076","0.002","104.374","0.003","91.345","0.002","102.817","0.003","1242.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O5 -","- C32 H26 N2 O5 -","- C64 H52 N4 O10 -","2","1","","Dighe, Shashikant U.; Yadav, Veena D.; Mahar, Rohit; Shukla, Sanjeev K.; Batra, Sanjay","Intramolecular C<sub>sp<sup>2</sup></sub>-C<sub>sp<sup>2</sup></sub> Friedel-Crafts Arylation: Substrate- and Condition-Controlled Divergent Synthesis of Fused-β-carbolines.","Organic letters","2016","18","23","6010","6013","10.1021/acs.orglett.6b02794","","","0.71073","MoKα","","0.118","0.0721","","","0.1747","0.2486","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555876","14.8765","0.0006","9.6372","0.0004","24.3534","0.0009","90","","90","","90","","3491.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SJY-005","","","- C19 H17 Br O2 S -","- C19 H17 Br O2 S -","- C152 H136 Br8 O16 S8 -","8","1","","Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho","Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.","Organic letters","2016","18","20","5408","5411","10.1021/acs.orglett.6b02805","","","0.71073","","","0.0998","0.059","","","0.116","0.1343","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555877","9.7687","0.0003","18.1178","0.0006","16.7748","0.0005","90","","103.668","0.0015","90","","2884.85","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","SJY-007","","","- C32 H20 O4 S2 -","- C32 H20 O4 S2 -","- C128 H80 O16 S8 -","4","1","","Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho","Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.","Organic letters","2016","18","20","5408","5411","10.1021/acs.orglett.6b02805","","","0.71073","","","0.1696","0.1293","","","0.3203","0.3624","","","","","","1.23","","","","has coordinates","239202","2020-10-21","18:00:00",""
"1555878","10.1244","0.0004","18.7208","0.0008","9.5787","0.0004","90","","91.3035","0.0018","90","","1815.05","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SJY-006","","","- C17 H24 O2 S Si -","- C17 H24 O2 S Si -","- C68 H96 O8 S4 Si4 -","4","1","","Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho","Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.","Organic letters","2016","18","20","5408","5411","10.1021/acs.orglett.6b02805","","","0.71073","","","0.0692","0.0662","","","0.1396","0.1413","","","","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555879","6.38","0.0011","11.8204","0.0017","13.095","0.002","96.666","0.013","95.878","0.014","102.772","0.013","948.2","0.3","300.79","0.1","300.79","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C50 H38 N2 O4 -","2","1","","Chen, Zi-Sheng; Yang, Fang; Ling, Huibo; Li, Mengxue; Gao, Jin-Ming; Ji, Kegong","Metal-Free, Site-Selective Addition to Ynones: An Approach to Synthesize Substituted Quinoline Derivatives.","Organic letters","2016","18","22","5828","5831","10.1021/acs.orglett.6b02813","","x-ray","1.54184","CuKα","","0.0574","0.0448","","","0.1282","0.1366","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555880","9.247","0.006","10.736","0.004","12.601","0.005","74.29","0.03","78.02","0.04","74.27","0.04","1146.9","1","294.6","0.6","294.6","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N O2 -","- C31 H21 N O2 -","- C62 H42 N2 O4 -","2","1","","Chen, Zi-Sheng; Yang, Fang; Ling, Huibo; Li, Mengxue; Gao, Jin-Ming; Ji, Kegong","Metal-Free, Site-Selective Addition to Ynones: An Approach to Synthesize Substituted Quinoline Derivatives.","Organic letters","2016","18","22","5828","5831","10.1021/acs.orglett.6b02813","","x-ray","0.71073","MoKα","","0.3872","0.0953","","","0.1803","0.3364","","","","","","0.879","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555881","8.303","0.0003","17.7016","0.0006","17.5144","0.0005","90","","99.293","0.001","90","","2540.42","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Br N O5 -","- C28 H30 Br N O5 -","- C112 H120 Br4 N4 O20 -","4","1","","Das, Saikat; Daniliuc, Constantin G.; Studer, Armido","Multicomponent 1,3-Bifunctionalization of Donor-Acceptor Cyclopropanes with Arenes and Nitrosoarenes.","Organic letters","2016","18","21","5576","5579","10.1021/acs.orglett.6b02815","","","0.71073","MoKα","","0.0431","0.031","","","0.0644","0.0687","","","","","","1.051","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555882","8.5631","0.00008","11.52249","0.00011","13.97167","0.00011","90","","90","","90","","1378.56","0.02","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Cao, Yang; Zhang, Xiang; Lin, Guangyu; Zhang-Negrerie, Daisy; Du, Yunfei","Chiral Aryliodine-Mediated Enantioselective Organocatalytic Spirocyclization: Synthesis of Spirofurooxindoles via Cascade Oxidative C-O and C-C Bond Formation.","Organic letters","2016","18","21","5580","5583","10.1021/acs.orglett.6b02816","","","1.54184","CuKα","","0.0298","0.0293","","","0.0834","0.0839","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555883","9.625","0.003","16.95","0.005","8.295","0.003","90","","114.355","0.006","90","","1232.8","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Cao, Yang; Zhang, Xiang; Lin, Guangyu; Zhang-Negrerie, Daisy; Du, Yunfei","Chiral Aryliodine-Mediated Enantioselective Organocatalytic Spirocyclization: Synthesis of Spirofurooxindoles via Cascade Oxidative C-O and C-C Bond Formation.","Organic letters","2016","18","21","5580","5583","10.1021/acs.orglett.6b02816","","","0.71073","MoKα","","0.0757","0.0631","","","0.253","0.2627","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555884","6.9549","0.0001","10.5071","0.0002","12.9403","0.0002","90","","90","","90","","945.62","0.03","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Rastelli, Ettore J.; Truong, Ngoc T.; Coltart, Don M.","Asymmetric Induction in Hydroacylation by Cooperative Iminium Ion-Transition-Metal Catalysis.","Organic letters","2016","18","21","5588","5591","10.1021/acs.orglett.6b02825","","","1.54178","CuKα","","0.0259","0.0256","","","0.0704","0.0711","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555885","19.301","0.004","5.7434","0.001","12.35","0.003","90","","120.282","0.004","90","","1182.2","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 Br O3 -","- C11 H13 Br O3 -","- C44 H52 Br4 O12 -","4","1","","Hou, Chuan-Jin; Hu, Xiang-Ping","Sterically Hindered Chiral Ferrocenyl P,N,N-Ligands for Highly Diastereo-/Enantioselective Ir-Catalyzed Hydrogenation of α-Alkyl-β-ketoesters via Dynamic Kinetic Resolution.","Organic letters","2016","18","21","5592","5595","10.1021/acs.orglett.6b02828","","","0.71073","MoKα","","0.0481","0.0343","","","0.083","0.0886","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555886","10.7641","0.0008","11.7191","0.0008","11.5933","0.0008","90","","95.782","0.001","90","","1455","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 Fe N2 P -","- C36 H34 Fe N2 P -","- C72 H68 Fe2 N4 P2 -","2","1","","Hou, Chuan-Jin; Hu, Xiang-Ping","Sterically Hindered Chiral Ferrocenyl P,N,N-Ligands for Highly Diastereo-/Enantioselective Ir-Catalyzed Hydrogenation of α-Alkyl-β-ketoesters via Dynamic Kinetic Resolution.","Organic letters","2016","18","21","5592","5595","10.1021/acs.orglett.6b02828","","","0.71073","MoKα","","0.032","0.0307","","","0.0709","0.0716","","","","","","0.999","","","","has coordinates,has disorder","239211","2020-10-21","18:00:00",""
"1555887","13.6186","0.0006","6.4135","0.0003","17.071","0.0009","90","","97.35","0.003","90","","1478.78","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C76 H96 N8 -","4","1","","Koovits, Paul J.; Knowles, Jonathan P.; Booker-Milburn, Kevin I","Conformationally Driven Two- and Three-Photon Cascade Processes in the Stereoselective Photorearrangement of Pyrroles.","Organic letters","2016","18","21","5608","5611","10.1021/acs.orglett.6b02829","","","0.71073","MoKα","","0.1016","0.0554","","","0.1168","0.1381","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555888","8.0081","0.0003","10.4609","0.0003","11.1597","0.0004","78.2095","0.0019","78.146","0.002","81.6257","0.0019","890.37","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","2","","Koovits, Paul J.; Knowles, Jonathan P.; Booker-Milburn, Kevin I","Conformationally Driven Two- and Three-Photon Cascade Processes in the Stereoselective Photorearrangement of Pyrroles.","Organic letters","2016","18","21","5608","5611","10.1021/acs.orglett.6b02829","","","0.71073","MoKα","","0.0455","0.0372","","","0.0904","0.0952","","","","","","1.032","","","","has coordinates","239213","2020-10-21","18:00:00",""
"1555889","15.9124","0.0004","10.2339","0.0003","19.2806","0.0005","90","","108.253","0.001","90","","2981.78","0.14","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 O3 -","- C39 H36 O3 -","- C156 H144 O12 -","4","1","","Ye, Fei; Haddad, Mansour; Michelet, Véronique; Ratovelomanana-Vidal, Virginie","Access toward Fluorenone Derivatives through Solvent-Free Ruthenium Trichloride Mediated [2 + 2 + 2] Cycloadditions.","Organic letters","2016","18","21","5612","5615","10.1021/acs.orglett.6b02840","","","0.71073","MoKα","","0.0803","0.0468","","","0.1128","0.1293","","","","","","1.024","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555890","8.0461","0.0016","17.462","0.003","10.6706","0.0019","90","","96.238","0.012","90","","1490.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F3 N O2 -","- C16 H14 F3 N O2 -","- C64 H56 F12 N4 O8 -","4","1","","Bhojgude, Sachin Suresh; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Substrate-Controlled Selectivity Switch in the Three-Component Coupling Involving Arynes, Aromatic Tertiary Amines, and CO<sub>2</sub>.","Organic letters","2016","18","20","5424","5427","10.1021/acs.orglett.6b02845","","","0.71073","MoKα","","0.0984","0.0716","","","0.1507","0.1678","","","","","","1.091","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555891","16.799","0.002","16.6108","0.0017","19.616","0.003","90","","108.792","0.006","90","","5182","1.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N P S -","- C30 H30 N P S -","- C240 H240 N8 P8 S8 -","8","2","","Unoh, Yuto; Yokoyama, Yuki; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Regioselective Synthesis of Benzo[b]phosphole Derivatives via Direct ortho-Alkenylation and Cyclization of Arylthiophosphinamides.","Organic letters","2016","18","20","5436","5439","10.1021/acs.orglett.6b02868","","","0.71075","MoKα","","0.1228","0.072","","","0.1211","0.1414","","","","","","1.096","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555892","19.87","0.03","16.3","0.02","8.985","0.012","90","","90","","90","","2910","7","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H31 F3 N O3 P S2 -","- C31 H31 F3 N O3 P S2 -","- C124 H124 F12 N4 O12 P4 S8 -","4","1","","Unoh, Yuto; Yokoyama, Yuki; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Regioselective Synthesis of Benzo[b]phosphole Derivatives via Direct ortho-Alkenylation and Cyclization of Arylthiophosphinamides.","Organic letters","2016","18","20","5436","5439","10.1021/acs.orglett.6b02868","","","0.71075","MoKα","","0.1886","0.1115","","","0.2346","0.2773","","","","","","1.103","","","","has coordinates","239217","2020-10-21","18:00:00",""
"1555893","18.249","0.004","7.4323","0.0015","22.242","0.004","90","","90","","90","","3016.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N -","- C20 H17 Fe N -","- C160 H136 Fe8 N8 -","8","1","","Zhou, Shuguang; Wang, Mingyang; Wang, Lili; Chen, Kehao; Wang, Jinhu; Song, Chao; Zhu, Jin","Bidentate Directing-Enabled, Traceless Heterocycle Synthesis: Cobalt-Catalyzed Access to Isoquinolines.","Organic letters","2016","18","21","5632","5635","10.1021/acs.orglett.6b02870","","","1.54178","CuKα","","0.0432","0.0386","","","0.1069","0.1118","","","","","","1.067","","","","has coordinates","239218","2020-10-21","18:00:00",""
"1555894","9.0735","0.0017","11.257","0.0019","11.893","0.002","91.917","0.005","90.265","0.005","99.335","0.005","1197.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 F N2 O2 -","- C29 H25 F N2 O2 -","- C58 H50 F2 N4 O4 -","2","1","","Song, Zhidong; Huang, Xin; Yi, Wenbin; Zhang, Wei","One-Pot Reactions for Modular Synthesis of Polysubstituted and Fused Pyridines.","Organic letters","2016","18","21","5640","5643","10.1021/acs.orglett.6b02883","","","0.71073","MoKα","","0.0586","0.0436","","","0.1022","0.1098","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555895","6.4113","0.0002","10.0776","0.0003","20.2079","0.0007","90","","90","","90","","1305.64","0.07","250","1","250","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O3 S -","- C16 H12 O3 S -","- C64 H48 O12 S4 -","4","1","","Vila, Carlos; Quintero, Lucia; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Organocatalytic Enantioselective Synthesis of α-Hydroxyketones through a Friedel-Crafts Reaction of Naphthols and Activated Phenols with Aryl- and Alkylglyoxal Hydrates.","Organic letters","2016","18","21","5652","5655","10.1021/acs.orglett.6b02893","","","0.71073","MoKα","","0.0447","0.0356","","","0.0885","0.0967","","","","","","0.92","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555896","15.954","0.003","16.992","0.002","17.29","0.004","107.17","0.01","114.97","0.01","94.23","0.01","3951.8","1.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C145 H144 N4 O5 Pt2 S32 -","- C145 H144 N4 O5 Pt2 S32 -","- C145 H144 N4 O5 Pt2 S32 -","1","0.5","","Bastien, Guillaume; Dron, Paul I.; Vincent, Manon; Canevet, David; Allain, Magali; Goeb, Sébastien; Sallé, Marc","C<sub>60</sub> Recognition from Extended Tetrathiafulvalene Bis-acetylide Platinum(II) Complexes.","Organic letters","2016","18","22","5856","5859","10.1021/acs.orglett.6b02915","","x-ray","0.71073","MoKα","","0.1569","0.067","","","0.128","0.176","","","","","","1.123","","","","has coordinates","239221","2020-10-21","18:00:00",""
"1555897","8.4273","0.0008","9.8386","0.0009","22.562","0.002","90","","90","","90","","1870.7","0.3","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 F2 N O -","- C24 H17 F2 N O -","- C96 H68 F8 N4 O4 -","4","1","","Fujino, Takumi; Hinoue, Tomoaki; Usuki, Yoshinosuke; Satoh, Tetsuya","Synthesis of Difluorinated Enynes through Sonogashira-Type Coupling.","Organic letters","2016","18","21","5688","5691","10.1021/acs.orglett.6b02919","","","0.71075","MoKα","","0.0446","0.0391","","","0.1056","0.1098","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555898","8.5766","0.0009","19.0076","0.0018","7.8189","0.0009","90","","92.3","0.005","90","","1273.6","0.2","213","","213","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F2 -","- C18 H10 F2 -","- C72 H40 F8 -","4","1","","Fujino, Takumi; Hinoue, Tomoaki; Usuki, Yoshinosuke; Satoh, Tetsuya","Synthesis of Difluorinated Enynes through Sonogashira-Type Coupling.","Organic letters","2016","18","21","5688","5691","10.1021/acs.orglett.6b02919","","","0.71075","MoKα","","","0.0445","","","","0.1283","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555899","9.995","0.003","15.594","0.005","17.952","0.006","76.027","0.007","81.673","0.006","77.58","0.006","2638.9","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N O3 S2 -","- C29 H21 N O3 S2 -","- C116 H84 N4 O12 S8 -","4","2","","Dong, Yu-Ting; Jin, Quan; Zhou, Ling; Chen, Jie","N-Heterocyclic Carbene Catalyzed Sulfenylation of α,β-Unsaturated Aldehydes.","Organic letters","2016","18","21","5708","5711","10.1021/acs.orglett.6b02939","","","0.71073","MoKα","","0.1161","0.0622","","","0.143","0.1679","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555900","12.31","0.004","14.356","0.006","18.752","0.008","82.396","0.012","76.856","0.013","70.392","0.012","3034","2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H43 S16 -","- C63 H43 S16 -","- C126 H86 S32 -","2","1","","Ogi, Daisuke; Fujita, Yusuke; Mori, Shigeki; Shirahata, Takashi; Misaki, Yohji","Bis- and Tris-fused Tetrathiafulvalenes Extended with Anthracene-9,10-diylidene.","Organic letters","2016","18","22","5868","5871","10.1021/acs.orglett.6b02944","","","0.71075","MoKα","","0.1122","0.0848","","","0.1867","0.2049","","","","","","1.134","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555901","8.9306","0.0005","9.8068","0.0005","14.0936","0.0008","74.745","0.002","85.237","0.002","87.353","0.002","1186.34","0.11","298","","298","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H32 -","- C30 H32 -","- C60 H64 -","2","1","","Kanno, Ken-Ichiro; Igarashi, Eri; Mizukami, Yuki; Nakajima, Kiyohiko; Song, Zhiyi; Takahashi, Tamotsu","Formation of Seven-Membered Carbocycles via 7-endo Mode Cyclization of Lithioheptatrienes.","Organic letters","2016","18","24","6217","6219","10.1021/acs.orglett.6b02956","","","0.71075","MoKα","","0.0713","0.0504","","","0.1173","0.1293","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555902","6.13","0.0003","9.435","0.0004","17.3238","0.0008","79.085","0.002","82.396","0.002","67.34","0.002","905.93","0.07","298","","298","","","","","","","","","2","P -1","-P 1","2","","","","- C23 H26 -","- C23 H26 -","- C46 H52 -","2","1","","Kanno, Ken-Ichiro; Igarashi, Eri; Mizukami, Yuki; Nakajima, Kiyohiko; Song, Zhiyi; Takahashi, Tamotsu","Formation of Seven-Membered Carbocycles via 7-endo Mode Cyclization of Lithioheptatrienes.","Organic letters","2016","18","24","6217","6219","10.1021/acs.orglett.6b02956","","","0.71075","MoKα","","0.1067","0.0578","","","0.1215","0.1429","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555903","15.1061","0.0013","6.2721","0.0006","15.7059","0.0014","90","","114.169","0.003","90","","1357.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Chen, Zi-Sheng; Huang, Xiao-Yan; Gao, Jin-Ming; Ji, Kegong","Relay Rh(II)/Pd(0) Dual Catalysis: Selective Construction of Cyclic All-Quaternary Carbon Centers.","Organic letters","2016","18","22","5876","5879","10.1021/acs.orglett.6b02958","","","0.71073","MoKα","","0.1141","0.0534","","","0.0786","0.0854","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555904","24.915","0.013","10.604","0.005","15.39","0.008","90","","113.315","0.009","90","","3734","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C168 H152 N8 O40 -","8","1","","Chen, Zi-Sheng; Huang, Xiao-Yan; Gao, Jin-Ming; Ji, Kegong","Relay Rh(II)/Pd(0) Dual Catalysis: Selective Construction of Cyclic All-Quaternary Carbon Centers.","Organic letters","2016","18","22","5876","5879","10.1021/acs.orglett.6b02958","","","0.71073","MoKα","","0.1859","0.1141","","","0.3437","0.3997","","","","","","1.245","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555905","8.6692","0.0003","9.105","0.0004","15.8619","0.0006","93.843","0.003","91.883","0.003","99.166","0.003","1232.06","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 F6 N O4 -","- C23 H33 F6 N O4 -","- C46 H66 F12 N2 O8 -","2","1","","Colomer, Ignacio; Barcelos, Rosimeire Coura; Christensen, Kirsten E.; Donohoe, Timothy J.","Orthogonally Protected 1,2-Diols from Electron-Rich Alkenes Using Metal-Free Olefin syn-Dihydroxylation.","Organic letters","2016","18","22","5880","5883","10.1021/acs.orglett.6b02959","","","1.54184","CuKα","","0.0479","0.0431","","0.1141","0.1098","0.1141","","","","","","0.9853","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555906","10.7863","0.0002","8.519","0.0002","22.5231","0.0005","90","","94.7132","0.0019","90","","2062.62","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 N O4 -","- C21 H33 N O4 -","- C84 H132 N4 O16 -","4","1","","Colomer, Ignacio; Barcelos, Rosimeire Coura; Christensen, Kirsten E.; Donohoe, Timothy J.","Orthogonally Protected 1,2-Diols from Electron-Rich Alkenes Using Metal-Free Olefin syn-Dihydroxylation.","Organic letters","2016","18","22","5880","5883","10.1021/acs.orglett.6b02959","","","1.54184","CuKα","","0.0489","0.0445","","0.1255","0.1186","0.1255","","","","","","0.9989","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555907","11.326","0.002","12.672","0.003","9.2889","0.0019","90","","94.75","0.03","90","","1328.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Wan, Jie-Ping; Cao, Shuo; Liu, Yunyun","Base-Promoted Synthesis of N-Substituted 1,2,3-Triazoles via Enaminone-Azide Cycloaddition Involving Regitz Diazo Transfer.","Organic letters","2016","18","23","6034","6037","10.1021/acs.orglett.6b02975","","","0.71073","MoKα","","0.0471","0.0401","","","0.1221","0.1283","","","","","","1.116","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555908","7.5678","0.0006","5.1454","0.0004","16.9271","0.0014","90","","98.7561","0.0018","90","","651.45","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 O S -","- C16 H16 O S -","- C32 H32 O2 S2 -","2","1","","Gómez, José Enrique; Guo, Wusheng; Kleij, Arjan W.","Palladium-Catalyzed Stereoselective Formation of Substituted Allylic Thioethers and Sulfones.","Organic letters","2016","18","23","6042","6045","10.1021/acs.orglett.6b02981","","","0.71073","MoKα","","0.039","0.0377","","","0.0992","0.1038","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555909","7.9679","0.0003","11.4739","0.0005","14.9692","0.0006","90","","93.356","0.001","90","","1366.18","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Gómez, José Enrique; Guo, Wusheng; Kleij, Arjan W.","Palladium-Catalyzed Stereoselective Formation of Substituted Allylic Thioethers and Sulfones.","Organic letters","2016","18","23","6042","6045","10.1021/acs.orglett.6b02981","","","0.71073","MoKα","","0.0399","0.0349","","","0.0948","0.0983","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555910","8.3992","0.0017","10.526","0.002","11.746","0.002","68.85","0.03","80.94","0.03","76.25","0.03","937.8","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 N2 Si2 -","- C40 H52 N2 Si2 -","- C40 H52 N2 Si2 -","1","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","0.71073","MoKα","","0.1164","0.0818","","","0.196","0.2218","","","","","","1.052","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555911","15.6326","0.0003","6.4203","0.0001","14.8783","0.0003","90","","100.516","0.0011","90","","1468.2","0.05","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 Si2 -","- C32 H36 N2 Si2 -","- C64 H72 N4 Si4 -","2","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","0.71073","MoKα","","0.0809","0.0689","","","0.203","0.2199","","","","","","1.07","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555912","6.5863","0.0002","32.7261","0.0011","7.6981","0.0003","90","","112.553","0.002","90","","1532.39","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 Si2 -","- C36 H40 N2 Si2 -","- C72 H80 N4 Si4 -","2","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","1.54178","CuKα","","0.1094","0.0646","","","0.146","0.1672","","","","","","1.037","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555913","6.5947","0.0008","32.761","0.003","7.661","0.0012","90","","113.1","0.008","90","","1522.4","0.3","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 Si2 -","- C34 H40 N2 Si2 -","- C68 H80 N4 Si4 -","2","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","1.54178","CuKα","","0.1093","0.0848","","","0.2605","0.2861","","","","","","1.272","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555914","6.0278","0.0012","11.373","0.002","17.547","0.004","78.6","0.03","83.43","0.03","78.73","0.03","1152.9","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","0.71073","MoKα","","0.1006","0.0659","","","0.1589","0.1854","","","","","","1.104","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555915","6.585","0.0004","7.8652","0.0004","17.0204","0.0009","78.833","0.004","83.504","0.004","66.118","0.004","790.2","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N2 Si2 -","- C36 H44 N2 Si2 -","- C36 H44 N2 Si2 -","1","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","1.54178","CuKα","","0.0771","0.0678","","","0.1791","0.1869","","","","","","1.08","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555916","6.247","0.0001","22.6384","0.0004","8.7822","0.0002","90","","100.885","0.001","90","","1219.65","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 Si2 -","- C28 H28 N2 Si2 -","- C56 H56 N4 Si4 -","2","0.5","","Granger, Devin B.; Mei, Yaochuan; Thorley, Karl J.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.","Synthesis and Electrical Properties of Derivatives of 1,4-bis(trialkylsilylethynyl)benzo[2,3-b:5,6-b']diindolizines.","Organic letters","2016","18","23","6050","6053","10.1021/acs.orglett.6b02991","","","1.54178","CuKα","","0.0376","0.0367","","","0.0943","0.0951","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555917","8.7863","0.0004","19.6959","0.0008","19.81","0.0007","90","","90","","90","","3428.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C152 H208 N16 O8 -","8","1","","Peng, Jianwen; Gao, Yang; Hu, Weigao; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Multicomponent Reaction (MCR) of Propargylic Carbonates with Isocyanides.","Organic letters","2016","18","22","5924","5927","10.1021/acs.orglett.6b02999","","","1.54178","CuKα","","0.0614","0.0507","","","0.1404","0.1619","","","","","","1.091","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555918","7.0557","0.0001","18.3411","0.0003","18.3448","0.0003","90","","93.837","0.001","90","","2368.67","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Br N3 O -","- C24 H34 Br N3 O -","- C96 H136 Br4 N12 O4 -","4","1","","Peng, Jianwen; Gao, Yang; Hu, Weigao; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Multicomponent Reaction (MCR) of Propargylic Carbonates with Isocyanides.","Organic letters","2016","18","22","5924","5927","10.1021/acs.orglett.6b02999","","","1.54178","CuKα","","0.0407","0.0329","","","0.0814","0.0873","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555919","6.1726","0.0013","6.1726","0.0013","54.71","0.03","90","","90","","120","","1805.2","1.1","292.84","0.1","292.84","0.1","","","","","","","","4","P 65","P 65","170","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C90 H72 N12 O6 -","6","1","","Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong","AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.","Organic letters","2016","18","22","5928","5931","10.1021/acs.orglett.6b03021","","x-ray","0.71","MoKα","","0.1409","0.1199","","","0.2033","0.2131","","","","","","1.106","","","","has coordinates","239244","2020-10-21","18:00:00",""
"1555920","6.1726","0.0013","6.1726","0.0013","54.71","0.03","90","","90","","120","","1805.2","1.1","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C90 H72 N12 O6 -","6","1","","Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong","AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.","Organic letters","2016","18","22","5928","5931","10.1021/acs.orglett.6b03021","","","0.71","MoKα","","0.1409","0.1199","","","0.2033","0.2131","","","","","","1.106","","","","has coordinates","239245","2020-10-21","18:00:00",""
"1555921","8.652","0.0007","9.9706","0.0008","14.1796","0.0012","78.8291","0.0017","89.706","0.0018","78.2333","0.0017","1174.07","0.17","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O6 -","- C29 H28 O6 -","- C58 H56 O12 -","2","1","","Shirinian, Valerii Z.; Lvov, Andrey G.; Yadykov, Anton V.; Yaminova, Liana V.; Kachala, Vadim V.; Markosyan, Ashot I.","Triaryl-Substituted Divinyl Ketones Cyclization: Nazarov Reaction versus Friedel-Crafts Electrophilic Substitution.","Organic letters","2016","18","24","6260","6263","10.1021/acs.orglett.6b03023","","","0.71073","MoKα","","0.0528","0.0413","","","0.1056","0.1138","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555922","5.7737","0.0006","7.9024","0.0007","11.5568","0.0009","90","","100.734","0.006","90","","518.07","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C20 H34 N2 O6 -","2","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.0362","0.033","","","0.0813","0.0826","","","","","","1.272","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555923","6.9214","0.0005","6.4235","0.0005","11.479","0.0008","90","","105.437","0.005","90","","491.94","0.06","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.0427","0.0369","","","0.0858","0.0889","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555924","5.8422","0.0005","10.2343","0.0009","19.63","0.0017","90","","90","","90","","1173.69","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.031","0.0297","","","0.085","0.0863","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555925","11.104","0.004","9.075","0.003","27.414","0.01","90","","91.04","0.006","90","","2762","1.7","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H20 F O P -","- C27 H20 F O P -","- C108 H80 F4 O4 P4 -","4","1","","Hu, Gaobo; Shan, Changkai; Chen, Weizhu; Xu, Pengxiang; Gao, Yuxing; Zhao, Yufen","Copper-Catalyzed Direct Coupling of Unprotected Propargylic Alcohols with P(O)H Compounds: Access to Allenylphosphoryl Compounds under Ligand- and Base-Free Conditions.","Organic letters","2016","18","23","6066","6069","10.1021/acs.orglett.6b03028","","","0.71","MoKα","","0.0985","0.0784","","","0.1998","0.2094","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555926","13.1754","0.0003","12.8893","0.0003","9.6352","0.0002","90","","97.16","0.002","90","","1623.51","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","1.54184","CuKα","","0.0548","0.0453","","","0.1321","0.1408","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555927","19.1531","0.0008","7.3529","0.0003","13.812","0.0006","90","","108.013","0.002","90","","1849.82","0.14","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.0402","0.0345","","","0.0915","0.0959","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555928","5.8986","0.0003","26.6087","0.0015","16.7845","0.0011","90","","96.428","0.002","90","","2617.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N4 O3 S -","- C26 H33 N4 O3 S -","- C104 H132 N16 O12 S4 -","4","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.1311","0.0808","","","0.1959","0.223","","","","","","1.029","","","","has coordinates","239251","2020-10-21","18:00:00",""
"1555929","8.75","0.0007","15.7853","0.0017","24.961","0.002","90","","90","","90","","3447.6","0.5","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C17 H16 N4 O3 S -","- C17 H16 N4 O3 S -","- C136 H128 N32 O24 S8 -","8","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.1546","0.0772","","","0.1831","0.2145","","","","","","1.035","","","","has coordinates","239251","2020-10-21","18:00:00",""
"1555930","8.3734","0.001","25.188","0.003","11.2668","0.0013","90","","98.394","0.002","90","","2350.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O3 S -","- C26 H24 N4 O3 S -","- C104 H96 N16 O12 S4 -","4","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.0761","0.0577","","","0.1346","0.1478","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555931","9.0147","0.0004","9.2814","0.0004","10.9521","0.0005","69.621","0.003","79.392","0.003","70.853","0.003","808.95","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","","Reddy, B. Narendraprasad; Ramana, Chepuri V.","Synthesis of Functionalized 6-Hydroxy-2-oxindole Derivatives by Phenoxide Cyclization.","Organic letters","2016","18","24","6264","6267","10.1021/acs.orglett.6b03048","","","0.71073","MoKα","","0.0992","0.0694","","","0.1365","0.1514","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555932","6.8886","0.0006","12.9983","0.0012","14.7636","0.0014","90","","94.523","0.001","90","","1317.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Reddy, B. Narendraprasad; Ramana, Chepuri V.","Synthesis of Functionalized 6-Hydroxy-2-oxindole Derivatives by Phenoxide Cyclization.","Organic letters","2016","18","24","6264","6267","10.1021/acs.orglett.6b03048","","","0.71073","MoKα","","0.0412","0.0362","","","0.0831","0.0855","","","","","","1.095","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555933","9.0841","0.0003","19.3749","0.0007","31.8706","0.0012","90","","95.862","0.002","90","","5580","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C252 H252 N12 O60 -","12","3","","Reddy, B. Narendraprasad; Ramana, Chepuri V.","Synthesis of Functionalized 6-Hydroxy-2-oxindole Derivatives by Phenoxide Cyclization.","Organic letters","2016","18","24","6264","6267","10.1021/acs.orglett.6b03048","","","0.71073","MoKα","","0.1217","0.075","","","0.1359","0.1542","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555934","7.3578","0.0005","12.184","0.001","13.0111","0.001","86.19","0.002","75.871","0.002","74.332","0.002","1089.1","0.14","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O6 -","- C24 H21 N O6 -","- C48 H42 N2 O12 -","2","1","","Gao, Peng; Wang, Juan; Bai, Zi-Jing; Shen, Li; Yan, Yun-Yun; Yang, De-Suo; Fan, Ming-Jin; Guan, Zheng-Hui","Synthesis of Polycarbonyl Pyrroles via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Cyclization of Enamines.","Organic letters","2016","18","23","6074","6077","10.1021/acs.orglett.6b03060","","","0.71073","MoKα","","0.0753","0.056","","","0.1744","0.1936","","","","","","1.145","","","","has coordinates,has disorder","239255","2020-10-21","18:00:00",""
"1555935","13.9835","0.0019","9.8343","0.0013","13.1233","0.0017","90","","100.67","0.002","90","","1773.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Gao, Peng; Wang, Juan; Bai, Zi-Jing; Shen, Li; Yan, Yun-Yun; Yang, De-Suo; Fan, Ming-Jin; Guan, Zheng-Hui","Synthesis of Polycarbonyl Pyrroles via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Cyclization of Enamines.","Organic letters","2016","18","23","6074","6077","10.1021/acs.orglett.6b03060","","","0.71073","MoKα","","0.043","0.0379","","","0.1034","0.1086","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555936","5.1132","0.0001","29.4098","0.0007","8.8232","0.0002","90","","92.686","0.001","90","","1325.36","0.05","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C54 H70 N6 O12 -","2","1","","Liew, Sean K.; Kaldas, Sherif J.; Yudin, Andrei K.","A Linchpin Synthesis of 6-Hydroxyceramides from Aziridine Aldehydes.","Organic letters","2016","18","24","6268","6271","10.1021/acs.orglett.6b03067","","","1.54178","CuKα","","0.0475","0.0422","","","0.1116","0.116","","","","","","1.057","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555937","8.8021","0.0004","9.9889","0.0005","32.4893","0.0017","90","","90","","90","","2856.6","0.2","292.35","0.1","292.35","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 Cl N O6 -","- C33 H28 Cl N O6 -","- C132 H112 Cl4 N4 O24 -","4","1","","Xiao, Yu; Lin, Jun-Bing; Zhao, Yin-Na; Liu, Jin-Yu; Xu, Peng-Fei","Exploring the Reactivity of Nitro-Activated 1,3-Enynes in an Organocatalytic One-Pot, Three-Component Coupling Reaction: A Tandem Catalytic Approach to a Novel 3-Nitrochroman Scaffold.","Organic letters","2016","18","24","6276","6279","10.1021/acs.orglett.6b03073","","x-ray","0.71073","MoKα","","0.0914","0.0584","","","0.1008","0.1205","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555938","10.243","0.0003","9.991","0.0003","12.37","0.0004","90","","106.182","0.001","90","","1215.76","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H26 F N O2 S -","- C29 H26 F N O2 S -","- C58 H52 F2 N2 O4 S2 -","2","1","","Xiao, Guolan; Ma, Chaoqun; Xing, Dong; Hu, Wenhao","Enantioselective Synthesis of α-Mercapto-β-amino Esters via Rh(II)/Chiral Phosphoric Acid-Cocatalyzed Three-Component Reaction of Diazo Compounds, Thiols, and Imines.","Organic letters","2016","18","23","6086","6089","10.1021/acs.orglett.6b03075","","","0.71073","MoKα","","0.0342","0.0317","","","0.0857","0.0882","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555939","9.2014","0.0003","10.8506","0.0003","12.1","0.0004","90","","91.8595","0.0009","90","","1207.44","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","2","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0272","0.0272","","","0.0713","0.0713","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555940","6.9162","0.0002","15.552","0.0004","12.5396","0.0003","90","","102.049","0.0009","90","","1319.05","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0285","0.0283","","","0.0734","0.0736","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555941","6.3597","0.0002","8.5694","0.0002","22.6596","0.0005","90","","90","","90","","1234.92","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0296","0.0296","","","0.0772","0.0772","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555942","36.538","0.006","14.716","0.001","30.585","0.006","90","","102.234","0.015","90","","16072","4","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ZnI tris(4-pyridyl)-1,3,5-triazene)2 MOF","","","- C60.84 H63.33 I6 N14.07 Zn3 -","- C60.84 H63.33 I6 N14.07 Zn3 -","- C486.72 H506.64 I48 N112.56 Zn24 -","8","1","","Waldhart, Greyson W.; Mankad, Neal P.; Santarsiero, Bernard D.","Improvements to the Practical Usability of the ""Crystalline Sponge"" Method for Organic Structure Determination.","Organic letters","2016","18","23","6112","6115","10.1021/acs.orglett.6b03119","","","0.70845","synchrotron","","0.1281","0.0916","","","0.2259","0.2463","","","","","","1.13","","","","has coordinates,has disorder","239263","2020-10-21","18:00:00",""
"1555943","34.026","0.002","15.046","0.001","30.424","0.001","90","","100.625","0.003","90","","15308.7","1.5","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ZnI tris(4-pyridyl)-1,3,5-triazene) MOF","","","- C48.64 H34.53 I6 N14.11 O4.21 Zn3 -","- C48.642 H34.535 I6 N14.107 O4.214 Zn3 -","- C389.136 H276.28 I48 N112.856 O33.712 Zn24 -","8","1","","Waldhart, Greyson W.; Mankad, Neal P.; Santarsiero, Bernard D.","Improvements to the Practical Usability of the ""Crystalline Sponge"" Method for Organic Structure Determination.","Organic letters","2016","18","23","6112","6115","10.1021/acs.orglett.6b03119","","","0.68878","synchrotron","","0.1017","0.0693","","","0.2003","0.2212","","","","","","1.059","","","","has coordinates,has disorder","239264","2020-10-21","18:00:00",""
"1555944","16.4591","0.0019","7.2887","0.0018","14.371","0.002","90","","90","0.003","90","","1724","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Mahdjour, Soumicha; Harche-Kaid, Meriem; Haidour, Alí; Chahboun, Rachid; Alvarez-Manzaneda, Enrique","Short Route to Cassane-Type Diterpenoids: Synthesis of the Supposed Structure of Benthaminin 1.","Organic letters","2016","18","22","5964","5967","10.1021/acs.orglett.6b03121","","","1.5405","CuKα","","0.0299","0.0274","","","0.068","0.0698","","","","","","1.078","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555945","23.889","0.007","10.077","0.003","12.378","0.003","90","","119.348","0.009","90","","2597.3","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Kong, Lingkai; Wang, Mengdan; Zhang, Fangfang; Xu, Murong; Li, Yanzhong","Copper-Catalyzed Oxidative Dearomatization/Spirocyclization of Indole-2-Carboxamides: Synthesis of 2-Spiro-pseudoindoxyls.","Organic letters","2016","18","23","6124","6127","10.1021/acs.orglett.6b03131","","","0.71073","MoKα","","0.0738","0.0586","","","0.1551","0.1675","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555946","7.46386","0.00006","20.34874","0.00017","14.16918","0.00013","90","","92.7434","0.0008","90","","2149.55","0.03","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H39 O3 -","- C23 H39 O3 -","- C92 H156 O12 -","4","2","","Liu, Shao-Nan; Huang, Dane; Morris-Natschke, Susan L; Ma, Hang; Liu, Zhi-Hong; Seeram, Navindra P.; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii.","Organic letters","2016","18","23","6132","6135","10.1021/acs.orglett.6b03142","","x-ray","1.54184","CuKα","","0.0502","0.0482","","","0.1327","0.1358","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1555947","7.4778","0.00004","9.96312","0.00006","24.19049","0.00016","90","","90","","90","","1802.24","0.019","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Liu, Shao-Nan; Huang, Dane; Morris-Natschke, Susan L; Ma, Hang; Liu, Zhi-Hong; Seeram, Navindra P.; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii.","Organic letters","2016","18","23","6132","6135","10.1021/acs.orglett.6b03142","","x-ray","1.54184","CuKα","","0.0334","0.0331","","","0.0889","0.0891","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555948","22.1581","0.001","25.2375","0.0012","10.6695","0.0005","90","","108.244","0.003","90","","5666.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl N O4 S -","- C26 H22 Cl N O4 S -","- C208 H176 Cl8 N8 O32 S8 -","8","1","","Liu, Kang; Chang, Xin; Wang, Chun-Jiang","Nickel(II)-Catalyzed Cascade Vinylogous Mukaiyama 1,6-Michael/Michael Addition of 2-Silyloxyfuran with N-Sulfonyl-1-aza-1,3-dienes: Access to Fused Piperidine/Butyrolactone Skeletons.","Organic letters","2016","18","24","6288","6291","10.1021/acs.orglett.6b03150","","","1.54178","CuKα","","0.1355","0.1269","","","0.3668","0.3806","","","","","","1.672","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555949","6.0068","0.0008","15.6019","0.0019","12.0874","0.0016","90","","95.78","0.005","90","","1127","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Youn, So Won; Kim, Yi Hyun","Pd(II)/Ag(I)-Promoted One-Pot Synthesis of Cyclic Ureas from (Hetero)Aromatic Amines and Isocyanates.","Organic letters","2016","18","23","6140","6143","10.1021/acs.orglett.6b03151","","","0.71073","MoKα","","0.0636","0.0415","","","0.0946","0.1071","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555950","12.0052","0.0002","7.5696","0.0001","12.6467","0.0002","90","","113.646","0.001","90","","1052.77","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C48 H68 O8 -","2","1","","Michalak, Karol; Morawiak, Maja; Wicha, Jerzy","Synthetic Approach to the Core Structure of Oleandrin and Related Cardiac Glycosides with Highly Functionalized Ring D.","Organic letters","2016","18","23","6148","6151","10.1021/acs.orglett.6b03157","","","1.54178","CuKα","","0.0457","0.0365","","","0.0879","0.0944","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555951","6.1334","0.0013","25.169","0.006","7.7489","0.0016","90","","95.807","0.012","90","","1190.1","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O5 -","- C26 H38 O5 -","- C52 H76 O10 -","2","1","","Michalak, Karol; Morawiak, Maja; Wicha, Jerzy","Synthetic Approach to the Core Structure of Oleandrin and Related Cardiac Glycosides with Highly Functionalized Ring D.","Organic letters","2016","18","23","6148","6151","10.1021/acs.orglett.6b03157","","","1.54178","CuKα","","0.0647","0.0526","","","0.1516","0.1613","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555952","9.2923","0.0006","9.2923","0.0006","38.5","0.003","90","","90","","90","","3324.4","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H16 Cl4 O4 -","- C14 H16 Cl4 O4 -","- C112 H128 Cl32 O32 -","8","1","","Sarkar, Rahul; Mukherjee, Santanu","Catalytic Enantioselective Desymmetrization of Norbornenoquinones via C(sp<sup>2</sup>)-H Alkylation.","Organic letters","2016","18","23","6160","6163","10.1021/acs.orglett.6b03168","","","0.71073","MoKα","","0.0267","0.0242","","","0.0548","0.0558","","","","","","0.926","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555953","14.279","0.002","20.305","0.004","9.8589","0.0017","90","","119.294","0.002","90","","2492.9","0.7","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C120 H108 N12 O12 -","4","1","","Zhao, Yu; Chen, Jia-Rong; Xiao, Wen-Jing","Synthesis of Hydrazide-Containing Chroman-2-ones and Dihydroquinolin-2-ones via Photocatalytic Radical Cascade Reaction of Aroylhydrozones.","Organic letters","2016","18","24","6304","6307","10.1021/acs.orglett.6b03174","","","0.71073","MoKα","","0.0473","0.0389","","","0.1025","0.1092","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555954","13.4161","0.0015","5.5776","0.0005","15.6055","0.0014","90","","106.023","0.003","90","","1122.39","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Cheng, Wanli; Tang, Yanhua; Xu, Ze-Feng; Li, Chuan-Ying","Synthesis of Multifunctionalized 2-Carbonylpyrrole by Rhodium-Catalyzed Transannulation of 1-Sulfonyl-1,2,3-triazole with β-Diketone.","Organic letters","2016","18","23","6168","6171","10.1021/acs.orglett.6b03179","","","0.71073","MoKα","","0.0847","0.05","","","0.1194","0.1538","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555955","8.7518","0.0002","8.9722","0.0002","13.5378","0.0003","90","","90","","90","","1063.03","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O -","- C13 H15 Cl O -","- C52 H60 Cl4 O4 -","4","1","","Han, Yixin; Breitler, Simon; Zheng, Shao-Liang; Corey, E. J.","Enantioselective Conversion of Achiral Cyclohexadienones to Chiral Cyclohexenones by Desymmetrization.","Organic letters","2016","18","23","6172","6175","10.1021/acs.orglett.6b03186","","","1.54178","CuKα","","0.0201","0.0201","","","0.0523","0.0524","","","","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555956","18.9446","0.0005","24.3426","0.0006","6.2244","0.0002","90","","90","","90","","2870.45","0.14","147","2","147","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- C21 H16 O -","- C21 H16 O -","- C168 H128 O8 -","8","2","","Yoon, Hyung; Lossouarn, Alexis; Landau, Felicitas; Lautens, Mark","Pd-Catalyzed Spirocyclization via C-H Activation and Benzyne Insertion.","Organic letters","2016","18","24","6324","6327","10.1021/acs.orglett.6b03213","","","1.54178","CuKα","","0.032","0.0278","","","0.0668","0.0693","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555957","11.8751","0.0011","8.3673","0.0008","15.6764","0.0016","90","","90.689","0.003","90","","1557.5","0.3","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Yoon, Hyung; Lossouarn, Alexis; Landau, Felicitas; Lautens, Mark","Pd-Catalyzed Spirocyclization via C-H Activation and Benzyne Insertion.","Organic letters","2016","18","24","6324","6327","10.1021/acs.orglett.6b03213","","","0.71073","MoKα","","0.0702","0.0411","","","0.0879","0.1014","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555958","11.7599","0.001","18.0933","0.0013","23.3373","0.0019","90","","103.385","0.003","90","","4830.7","0.7","147","2","147","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Cl3 N O P2 Pd -","- C53 H44 Cl3 N O P2 Pd -","- C212 H176 Cl12 N4 O4 P8 Pd4 -","4","1","","Yoon, Hyung; Lossouarn, Alexis; Landau, Felicitas; Lautens, Mark","Pd-Catalyzed Spirocyclization via C-H Activation and Benzyne Insertion.","Organic letters","2016","18","24","6324","6327","10.1021/acs.orglett.6b03213","","","0.71073","MoKα","","0.0434","0.0289","","","0.0603","0.066","","","","","","1.025","","","","has coordinates","239279","2020-10-21","18:00:00",""
"1555959","8.9082","0.0006","9.9372","0.0008","11.1764","0.0008","90.17","0.003","100.71","0.003","95.382","0.003","967.63","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl N O -","- C26 H17 Cl N O -","- C52 H34 Cl2 N2 O2 -","2","1","","Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan","Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones.","Organic letters","2016","18","23","6184","6187","10.1021/acs.orglett.6b03224","","","0.71073","MoKα","","0.1769","0.0675","","","0.1253","0.1544","","","","","","1.017","","","","has coordinates","239280","2020-10-21","18:00:00",""
"1555960","8.51","0.002","12.408","0.003","8.644","0.002","90","","90.049","0.004","90","","912.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-11-(2-(4-methylpiperazin-1-yl)-2-oxoethylidene)-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C42 H42 N6 O4 -","2","1","","Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan","Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones.","Organic letters","2016","18","23","6184","6187","10.1021/acs.orglett.6b03224","","","0.71073","MoKα","","0.0366","0.0355","","","0.0913","0.0922","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555961","8.996","0.003","9.168","0.004","14.637","0.007","90.061","0.017","106.475","0.014","117.452","0.014","1014.9","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Br N O -","- C26 H18 Br N O -","- C52 H36 Br2 N2 O2 -","2","1","","Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan","Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones.","Organic letters","2016","18","23","6184","6187","10.1021/acs.orglett.6b03224","","","0.71073","MoKα","","0.2398","0.0632","","","0.157","0.2897","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555962","11.5586","0.0007","37.6596","0.0019","12.2407","0.0007","90","","110.032","0.004","90","","5005.9","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Cl4 N2 O7 -","- C57 H52 Cl4 N2 O7 -","- C228 H208 Cl16 N8 O28 -","4","1","","Zhu, Congzhi; Mu, Anthony U.; Lin, Yen-Hao; Guo, Zi-Hao; Yuan, Tianyu; Wheeler, Steven E.; Fang, Lei","Molecular Coplanarity and Self-Assembly Promoted by Intramolecular Hydrogen Bonds.","Organic letters","2016","18","24","6332","6335","10.1021/acs.orglett.6b03225","","","1.54178","CuKα","","0.1264","0.0875","","","0.1576","0.1759","","","","","","1.091","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555963","19.3264","0.0012","16.2685","0.001","9.8756","0.0006","90","","90","","90","","3105","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H5 Co O -","- C66 H5 Co O -","- C264 H20 Co4 O4 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Co(I)-Mediated Removal of Addends on the C<sub>60</sub> Cage and Formation of the Monovalent Cobalt Complex CpCo(CO)(η<sup>2</sup>-C<sub>60</sub>).","Organic letters","2016","18","24","6348","6351","10.1021/acs.orglett.6b03238","","","0.71073","MoKα","","0.0363","0.0344","","","0.0924","0.0957","","","","","","1.051","","","","has coordinates","239284","2020-10-21","18:00:00",""
"1555964","10.8707","0.0003","12.3272","0.0003","16.2931","0.0004","79.118","0.002","82.74","0.002","72.757","0.002","2041.96","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","SCX15_050","","","- C27 H27 N3 -","- C27 H27 N3 -","- C108 H108 N12 -","4","2","","Fandrick, Daniel R.; Hart, Christine A.; Okafor, Ifeanyi S.; Mercadante, Michael A.; Sanyal, Sanjit; Masters, James T.; Sarvestani, Max; Fandrick, Keith R.; Stockdill, Jennifer L.; Grinberg, Nelu; Gonnella, Nina; Lee, Heewon; Senanayake, Chris H.","Copper-Catalyzed Asymmetric Propargylation of Cyclic Aldimines.","Organic letters","2016","18","23","6192","6195","10.1021/acs.orglett.6b03253","","","1.54178","CuKα","","0.0425","0.0354","","","0.0908","0.0961","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555965","5.9076","0.0004","8.2748","0.0006","28.655","0.004","90","","90","","90","","1400.8","0.2","99.9","0.3","99.9","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Kusy, Rafał; Grela, Karol","E- and Z-Selective Transfer Semihydrogenation of Alkynes Catalyzed by Standard Ruthenium Olefin Metathesis Catalysts.","Organic letters","2016","18","23","6196","6199","10.1021/acs.orglett.6b03254","","","1.54184","CuKα","","0.0545","0.0467","","","0.1207","0.1263","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555966","10.9967","0.0003","16.5944","0.0004","25.1871","0.0005","90","","91.593","0.001","90","","4594.46","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl N O5 S -","- C27 H22 Cl N O5 S -","- C216 H176 Cl8 N8 O40 S8 -","8","2","","Xuan, Jun; Daniliuc, Constantin G.; Studer, Armido","Construction of Polycyclic γ-Lactams and Related Heterocycles via Electron Catalysis.","Organic letters","2016","18","24","6372","6375","10.1021/acs.orglett.6b03267","","","1.54178","CuKα","","0.0467","0.0429","","","0.116","0.1197","","","","","","1.044","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555967","13.014","0.004","9.45","0.003","18.211","0.005","90","","98.828","0.008","90","","2213.1","1.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H22 F2 N2 O7 -","- C21 H22 F2 N2 O7 -","- C84 H88 F8 N8 O28 -","4","1","","Evans, Christopher E.; Matarlo, Joe S.; Tonge, Peter J.; Tan, Derek S.","Stereoselective Synthesis, Docking, and Biological Evaluation of Difluoroindanediol-Based MenE Inhibitors as Antibiotics.","Organic letters","2016","18","24","6384","6387","10.1021/acs.orglett.6b03272","","","1.54178","CuKα","","0.0307","0.0305","","","0.0814","0.0816","","","","","","1.338","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555968","7.1492","0.0004","10.4607","0.0005","12.1607","0.0006","77.086","0.003","77.386","0.004","87.983","0.004","864.96","0.08","296","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C48 H32 N4 O4 -","2","1","","Zhang, Cheng; Huang, Jingjing; Qiu, Lihua; Xu, Xinfang","Thermally Induced [3 + 2] Cycloaddition of Alkynyl-Tethered Diazoamides: Synthetic and Mechanistic Insights.","Organic letters","2016","18","23","6208","6211","10.1021/acs.orglett.6b03288","","","0.71073","MoKα","","0.1142","0.0535","","","0.1162","0.1524","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555969","12.2885","0.0009","6.3383","0.0005","17.583","0.0016","90","","100.49","0.007","90","","1346.62","0.19","278.04","0.1","278.04","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N3 O3 -","- C12 H21 N3 O3 -","- C48 H84 N12 O12 -","4","1","","Zhang, Cheng; Huang, Jingjing; Qiu, Lihua; Xu, Xinfang","Thermally Induced [3 + 2] Cycloaddition of Alkynyl-Tethered Diazoamides: Synthetic and Mechanistic Insights.","Organic letters","2016","18","23","6208","6211","10.1021/acs.orglett.6b03288","","","0.71073","MoKα","","0.096","0.0529","","","0.0988","0.1203","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555970","7.1278","0.0005","11.0317","0.0007","24.0691","0.0017","90","","90","","90","","1892.6","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N -","- C23 H31 N -","- C92 H124 N4 -","4","1","","Dethe, Dattatraya H.; Sau, Susanta Kumar; Mahapatra, Samarpita","Biomimetic Enantioselective Total Synthesis of (-)-Mycoleptodiscin A.","Organic letters","2016","18","24","6392","6395","10.1021/acs.orglett.6b03292","","","0.71073","MoKα","","0.1186","0.0599","","","0.0899","0.1037","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555971","22.035","0.003","10.8485","0.0012","22.733","0.003","90","","114.59","0.004","90","","4941.4","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 N O S -","- C33 H21 N O S -","- C264 H168 N8 O8 S8 -","8","2","","Shankar, Majji; Ghosh, Koushik; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Ru-Catalyzed One-Pot Diannulation of Heteroaryls: Direct Access to π-Conjugated Polycyclic Amides.","Organic letters","2016","18","24","6416","6419","10.1021/acs.orglett.6b03314","","","0.71073","MoKα","","0.1117","0.0557","","","0.1255","0.148","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555972","17.6372","0.0012","11.5066","0.0009","12.8191","0.0009","90","","107.487","0.002","90","","2481.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 F N O -","- C35 H22 F N O -","- C140 H88 F4 N4 O4 -","4","1","","Shankar, Majji; Ghosh, Koushik; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.","Ru-Catalyzed One-Pot Diannulation of Heteroaryls: Direct Access to π-Conjugated Polycyclic Amides.","Organic letters","2016","18","24","6416","6419","10.1021/acs.orglett.6b03314","","","0.71073","MoKα","","0.0841","0.0522","","","0.1203","0.1335","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555973","10.8565","0.0007","16.1793","0.0011","12.2433","0.0009","90","","114.148","0.0019","90","","1962.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B O4 -","- C19 H29 B O4 -","- C76 H116 B4 O16 -","4","1","","Butcher, Trevor W.; McClain, Edward J.; Hamilton, Tyler G.; Perrone, Trina M.; Kroner, Kayla M.; Donohoe, Gregory C.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Popp, Brian V.","Regioselective Copper-Catalyzed Boracarboxylation of Vinyl Arenes.","Organic letters","2016","18","24","6428","6431","10.1021/acs.orglett.6b03326","","","0.71073","MoKα","","0.0828","0.0599","","","0.1513","0.1699","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555974","5.4346","0.0003","9.6489","0.0005","14.5339","0.0008","90","","99.157","0.002","90","","752.41","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N3 O -","- C17 H14 Br N3 O -","- C34 H28 Br2 N6 O2 -","2","1","","Vyas, Vijyesh K.; Bhanage, Bhalchandra M.","Kinetic Resolution Driven Diastereo- and Enantioselective Synthesis of cis-β-Heteroaryl Amino Cycloalkanols by Ruthenium-Catalyzed Asymmetric Transfer Hydrogenation.","Organic letters","2016","18","24","6436","6439","10.1021/acs.orglett.6b03334","","","0.71073","MoKα","","0.0252","0.0222","","","0.0431","0.044","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555975","6.2872","0.0003","10.7075","0.0008","13.7223","0.0008","80.562","0.006","85.731","0.004","87.096","0.005","908.06","0.1","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F N O3 -","- C22 H18 F N O3 -","- C44 H36 F2 N2 O6 -","2","1","","Liu, Jianchao; Peng, Hui; Lu, Lin; Xu, Xiaobing; Jiang, Huanfeng; Yin, Biaolin","Diastereospecific and Enantioselective Access to Dispirooxindoles from Furfurylcyclobutanols by Means of a Pd-Catalyzed Arylative Dearomatization/Ring Expansion Cascade.","Organic letters","2016","18","24","6440","6443","10.1021/acs.orglett.6b03339","","","1.54184","CuKα","","0.0424","0.0386","","","0.1001","0.1027","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555976","11.7842","0.0004","10.5042","0.0004","16.7068","0.0006","90","","109.462","0.002","90","","1949.87","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","anti-9,10-Bis(2-chlorophenyl)phenanthrene","","- C26 H16 Cl2 -","- C26 H16 Cl2 -","- C104 H64 Cl8 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0412","0.0335","","","0.0901","0.0951","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555977","7.2192","0.0009","12.2678","0.0016","27.633","0.003","90","","90","","90","","2447.3","0.5","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0808","0.0683","","","0.1853","0.1947","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555978","9.1927","0.0013","29.468","0.004","7.4968","0.0009","90","","104.857","0.007","90","","1962.9","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","syn-9,10-Bis(2-chlorophenyl)phenanthrene","","- C26 H16 Cl2 -","- C26 H16 Cl2 -","- C104 H64 Cl8 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0792","0.0428","","","0.1002","0.1226","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555979","10.724","0.001","14.6596","0.0014","15.9412","0.0015","90","","106.043","0.002","90","","2408.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0621","0.0477","","","0.1194","0.1281","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555981","11.8971","0.0006","5.9845","0.0003","12.3079","0.0007","90","","95.961","0.002","90","","871.56","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C44 H38 Br2 O4 -","2","1","","Ming, Jialin; Hayashi, Tamio","Aryloxymethyltrifluoroborates for Rhodium-Catalyzed Asymmetric Conjugate Arylation. o-Methoxyarylation through 1,4-Rhodium Shift.","Organic letters","2016","18","24","6452","6455","10.1021/acs.orglett.6b03347","","","1.54178","CuKα","","0.0267","0.0264","","","0.0694","0.0696","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555982","15.792","0.003","12.08","0.003","19.334","0.004","90","","90","","90","","3688.3","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","","Hu, Ming; Zou, Hua-Xu; Song, Ren-Jie; Xiang, Jian-Nan; Li, Jin-Heng","Copper-Catalyzed C-H Oxidative Radical Functionalization and Annulation of Aniline-Linked 1,7-Enynes: Evidence for a 1,5-Hydride Shift Mechanism.","Organic letters","2016","18","24","6460","6463","10.1021/acs.orglett.6b03352","","","0.71073","MoKα","","0.0822","0.0556","","","0.1371","0.1612","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555983","8.02","0.002","19.607","0.006","7.492","0.002","90","","95.022","0.003","90","","1173.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Sun, Peng; Gao, Shang; Yang, Chi; Guo, Songjin; Lin, Aijun; Yao, Hequan","Controllable Rh(III)-Catalyzed Annulation between Salicylaldehydes and Diazo Compounds: Divergent Synthesis of Chromones and Benzofurans.","Organic letters","2016","18","24","6464","6467","10.1021/acs.orglett.6b03355","","","0.71073","MoKα","","0.0514","0.0438","","","0.1289","0.1342","","","","","","1.078","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555984","10.8033","0.0003","12.0109","0.0004","17.2824","0.0007","90","","90","","90","","2242.52","0.13","293.51","0.1","293.51","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Br N O2 -","- C28 H24 Br N O2 -","- C112 H96 Br4 N4 O8 -","4","1","","Shi, Ming-Lin; Zhan, Gu; Zhou, Su-Lan; Du, Wei; Chen, Ying-Chun","Asymmetric Inverse-Electron-Demand Oxa-Diels-Alder Reaction of Allylic Ketones through Dienamine Catalysis.","Organic letters","2016","18","24","6480","6483","10.1021/acs.orglett.6b03384","","x-ray","1.54184","CuKα","","0.0524","0.0505","","","0.1339","0.1376","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555985","7.8152","0.0009","12.0816","0.0013","21.667","0.002","90","","90","","90","","2045.8","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0563","0.0388","","","0.1044","0.1406","","","","","","1.161","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555986","9.478","0.0014","9.5117","0.0013","21.743","0.003","90","","90","","90","","1960.2","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0318","0.0315","","","0.083","0.0837","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555987","6.62","0.0004","10.9943","0.0007","27.0538","0.0018","90","","90","","90","","1969","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.1392","0.1383","","","0.3486","0.3516","","","","","","1.746","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555988","7.128","0.0004","13.9482","0.0007","9.3993","0.0005","90","","92.464","0.002","90","","933.64","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C42 H56 O12 -","2","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0614","0.0607","","","0.1587","0.1603","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555989","12.2561","0.0004","15.5951","0.0005","16.3454","0.0006","90","","97.262","0.002","90","","3099.12","0.18","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Johnson, Thomas; Pultar, Felix; Menke, Friedericke; Lautens, Mark","Palladium-Catalyzed α-Arylation of Vinylogous Esters for the Synthesis of γ,γ-Disubstituted Cyclohexenones.","Organic letters","2016","18","24","6488","6491","10.1021/acs.orglett.6b03394","","","1.54178","CuKα","","0.0413","0.0391","","","0.0956","0.0975","","","","","","1.065","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555990","16.0823","0.0017","18.0956","0.0019","28.619","0.003","90","","97.4057","0.0016","90","","8259.2","1.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H50 N2 O5 S Si -","- C47 H50 N2 O5 S Si -","- C376 H400 N16 O40 S8 Si8 -","8","1","","Andreansky, Eric S.; Blakey, Simon B.","An Iminium Ion Cascade Annulation Strategy for the Synthesis of Akuammiline Alkaloid Pentacyclic Core Structures.","Organic letters","2016","18","24","6492","6495","10.1021/acs.orglett.6b03406","","","0.71073","MoKα","","0.0941","0.0684","","","0.1326","0.1526","","","","","","1.155","","","","has coordinates,has disorder","301780","2025-08-18","21:43:34",""
"1555991","17.4605","0.0007","8.5215","0.0003","15.4752","0.0006","90","","103.931","0.003","90","","2234.82","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 O8 -","- C31 H18 O8 -","- C124 H72 O32 -","4","1","","Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Xu, Qiang; Tan, Ren Xiang","Spirodalesol, an NLRP3 Inflammasome Activation Inhibitor.","Organic letters","2016","18","24","6496","6499","10.1021/acs.orglett.6b03435","","","1.54178","CuKα","","0.2149","0.1178","","","0.2069","0.2678","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1555995","37.5582","0.0009","37.5582","0.0009","9.9323","0.0003","90","","90","","120","","12133.6","0.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H27 N O2 S -","- C36 H27 N O2 S -","- C648 H486 N18 O36 S18 -","18","1","","Jalal, Swapnadeep; Paul, Kartick; Jana, Umasish","Iron-Catalyzed 1,5-Enyne Cycloisomerization via 5-Endo-Dig Cyclization for the Synthesis of 3-(Inden-1-yl)indole Derivatives.","Organic letters","2016","18","24","6512","6515","10.1021/acs.orglett.6b03544","","","0.71073","MoKα","","0.119","0.053","","","0.1584","0.2213","","","","","","0.984","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1557297","11.2231","0.0013","8.1552","0.0009","11.9835","0.0014","90","","115.45","0.005","90","","990.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C46 H38 N6 O10 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G.","Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones.","Organic & biomolecular chemistry","2020","18","9","1794","1799","10.1039/d0ob00007h","","","1.54178","CuKα","","0.0421","0.0368","","","0.0889","0.0954","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1560809","21.1662","0.0002","7.2822","0.0001","23.8529","0.0002","90","","95.675","0.001","90","","3658.58","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl N5 O16 -","- C35 H36 Cl N5 O16 -","- C140 H144 Cl4 N20 O64 -","4","1","","Devarapalli, Ramesh; Indukuri, Anjaneyaraju; Bollineni, Manjunath; Mondal, Amit; Reddy, C. Malla; Chennuru, Ramanaiah","Investigation of Poor Solubility of a Salt-Cocrystal Hydrate: A Case Study of the Common-Ion Effect in Betrixaban, an Anticoagulant Drug.","Molecular pharmaceutics","2021","18","3","1138","1149","10.1021/acs.molpharmaceut.0c01045","","","1.54184","CuKα","","0.0432","0.0358","","","0.0865","0.0894","","","","","","1.039","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560810","10.2717","0.0003","14.008","0.0004","19.5347","0.0005","73.184","0.002","75.634","0.002","89.646","0.002","2599.91","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Cl N5 O7 -","- C27 H26 Cl N5 O7 -","- C108 H104 Cl4 N20 O28 -","4","2","","Devarapalli, Ramesh; Indukuri, Anjaneyaraju; Bollineni, Manjunath; Mondal, Amit; Reddy, C. Malla; Chennuru, Ramanaiah","Investigation of Poor Solubility of a Salt-Cocrystal Hydrate: A Case Study of the Common-Ion Effect in Betrixaban, an Anticoagulant Drug.","Molecular pharmaceutics","2021","18","3","1138","1149","10.1021/acs.molpharmaceut.0c01045","","","1.54184","CuKα","","0.0347","0.0311","","","0.0787","0.0816","","","","","","1.034","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560811","10.9239","0.0013","13.7852","0.0015","14.6224","0.0016","116.386","0.01","91.271","0.008","108.043","0.006","1842.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Cl2 N4 O4 S -","- C39 H48 Cl2 N4 O4 S -","- C78 H96 Cl4 N8 O8 S2 -","2","1","","Gui, Yue; McCann, Erin C.; Yao, Xin; Li, Yuhui; Jones, Karen J.; Yu, Lian","Amorphous Drug-Polymer Salt with High Stability under Tropical Conditions and Fast Dissolution: The Case of Clofazimine and Poly(acrylic acid).","Molecular pharmaceutics","2021","18","3","1364","1372","10.1021/acs.molpharmaceut.0c01180","","x-ray","1.54178","CuKα","K-L~3~","0.0815","0.053","","","0.1208","0.1347","","","","","","1.032","","","","has coordinates,has disorder","301787","2025-08-18","22:19:33",""
"1565986","5.4839","0.0002","10.9453","0.0003","23.076","0.0006","90","","95.105","0.001","90","","1379.59","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Xylenediaminium bis(tetrafluoroborate) monohydrate","","","- C8 H16 B2 F8 N2 O -","- C8 H16 B2 F8 N2 O -","- C32 H64 B8 F32 N8 O4 -","4","1","","Haddaoui, Souhir; Ouerghi, Zeineb; Arfaoui, Youssef; Maris, Thierry; Kefi, Riadh","Structural characterization, dielectric properties, optical and theoretical DFT study of (C8H14N2)(BF4)2·H2O compound","Journal of the Iranian Chemical Society","2021","18","8","2065","2077","10.1007/s13738-021-02165-4","","x-ray","1.34139","GaKα","","0.0475","0.0469","","","0.117","0.1177","","","","","","1.096","","","","has coordinates,has Fobs","272063","2022-01-16","12:40:06",""
"1566121","9.6854","0.0002","9.9691","0.0002","10.4536","0.0002","87.793","0.002","63.452","0.002","85.496","0.002","900.12","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1581 M6 Ligand L1, H4Me2hybeb","1,2-bis(2-hydroxybenzamido)-4,5-dimethylbenzene, (H4Me2hybeb)","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C44 H40 N4 O8 -","2","1","","Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt","Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids","Comptes Rendus Chimie","2015","18","6","654","661","10.1016/j.crci.2014.11.001","","","0.71073","MoKα","","0.0458","0.0406","","","0.1116","0.1179","","","","","","1.018","","","","has coordinates","272222","2022-01-25","10:25:38",""
"1566122","27.3312","0.0009","12.3272","0.0004","17.8035","0.0006","90","","125.968","0.002","90","","4854.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1580 M5 Ligand L2, H4Me2hybeb","1,2-bis(2-hydroxynaphthyl-3-carboxamido)-4,5-dimethylbenzene, (H4Me2hybeb)","","- C30 H24 N2 O4 -","- C30 H24 N2 O4 -","- C240 H192 N16 O32 -","8","1","","Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt","Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids","Comptes Rendus Chimie","2015","18","6","654","661","10.1016/j.crci.2014.11.001","","","0.71073","MoKα","","0.0567","0.0427","","","0.1104","0.1237","","","","","","1.037","","","","has coordinates","272222","2022-01-25","10:25:49",""
"1566123","12.0549","0.0006","12.4484","0.0006","12.7005","0.0006","65.574","0.003","63.112","0.003","85.976","0.003","1531.6","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1598 SM2prime [Co4(μ3-OH)2(μ2-Me2hybeb)2(CH3CN)6].2H2O.2(CH3CN)","[Co4(μ3-OH)2(μ2-Me2hybeb)2(CH3CN)6].2H2O.2(CH3CN)","","- C60 H62 Co4 N12 O12 -","- C56 H52 Co4 N10 O12 -","- C56 H52 Co4 N10 O12 -","1","0.5","","Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt","Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids","Comptes Rendus Chimie","2015","18","6","654","661","10.1016/j.crci.2014.11.001","","","0.71073","MoKα","","0.0937","0.0542","","","0.1372","0.1575","","","","","","1.09","","","","has coordinates","272222","2022-01-25","10:26:01",""
"1566633","6.6492","0.0008","13.731","0.002","15.329","0.002","90","","101.032","0.005","90","","1373.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","1","","Kshtriya, Vivekshinh; Koshti, Bharti; Mehmood, Tahir; Singh, Ramesh; Joshi, Khashti Ballabh; Bandyopadhyay, Sujoy; Boukhvalov, Danil W.; Reddy, J. Prakasha; Gour, Nidhi","A new aggregation induced emission enhancement (AIEE) dye which self-assembles to panchromatic fluorescent flowers and has application in sensing dichromate ions.","Soft matter","2022","18","15","3019","3030","10.1039/d2sm00154c","","","0.71073","MoKα","","0.1081","0.0623","","","0.1279","0.1465","","","","","","1.075","","","","has coordinates","275076","2022-05-05","20:57:38",""
"1566830","9.637","0.004","9.944","0.005","27.528","0.013","95.325","0.006","97.691","0.008","96.476","0.006","2582","2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","RuGelatorBz1PF6","","","- C24 H37 F6 N2 O P Ru -","- C24 H37 F6 N2 O P Ru -","- C96 H148 F24 N8 O4 P4 Ru4 -","4","2","","Sumitani, Ryo; Yamanaka, Masamichi; Mochida, Tomoyuki","On-demand gelation of ionic liquids using photoresponsive organometallic gelators.","Soft matter","2022","18","18","3479","3486","10.1039/d2sm00307d","","","0.71073","MoKα","","0.1393","0.1041","","","0.2448","0.2643","","","","","","1.098","","","","has coordinates,has disorder","275834","2022-06-06","02:08:00",""
"1567730","30.686","0.003","7.524","0.0007","41.837","0.004","90","","97.104","0.002","90","","9585.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H57 N O6 S -","- C27 H57 N O6 S -","- C324 H684 N12 O72 S12 -","12","3","","Ravindar, Chinapaka; Reddy, S. Thirupathi; Sivaramakrishna, Dokku; Damera, Deepthi Priyanka; Swamy, Musti J.","Base-triggerable lauryl sarcosinate-dodecyl sulfate catanionic liposomes: structure, biophysical characterization, and drug entrapment/release studies.","Soft matter","2022","18","40","7814","7826","10.1039/d2sm00965j","","","0.71073","MoKα","","0.1426","0.085","","","0.1882","0.2186","","","","","","1.069","","","","has coordinates","279029","2022-11-07","05:56:00",""
"1573832","3.7948","","3.7948","","12.7099","","90","","90","","120","","158.508","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","hexagonal 4H Si-IV","","","- Si -","- Si -","- Si8 -","8","0.333333","","Pandolfi, Silvia; Renero-Lecuna, Carlos; Le Godec, Yann; Baptiste, Benoit; Menguy, Nicolas; Lazzeri, Michele; Gervais, Christel; Spektor, Kristina; Crichton, Wilson A.; Kurakevych, Oleksandr O.","Nature of Hexagonal Silicon Forming via High-Pressure Synthesis: Nanostructured Hexagonal 4H Polytype","Nano Letters","2018","18","9","5989","5995","10.1021/acs.nanolett.8b02816","","","","","","","","","","","","","","","","","","","","","has coordinates","297570","2025-02-03","12:44:01",""
"1573871","27.885","0.0004","5.6072","0.0001","27.8067","0.0004","90","","111.567","0.001","90","","4043.37","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Du, Jiajun; Chen, Jinling; Ouyang, Beilin; Sun, Anxin; Tian, Congcong; Zhuang, Rongshan; Chen, Chen; Liu, Shuo; Chen, Qianwen; Li, Ziyi; Wu, Xiling; Cai, Jingyu; Zhao, Yuyang; Li, Ran; Xue, Teng; Cen, Tiantian; Zhao, Kaibo; Chen, Chun-Chao","Face-on oriented self-assembled molecules with enhanced π–π stacking for highly efficient inverted perovskite solar cells on rough FTO substrates","Energy & Environmental Science","2025","18","7","3196","3210","10.1039/D4EE05849F","","","1.54184","CuKα","","0.0446","0.0409","","","0.1525","0.1574","","","","","","1.421","","","","has coordinates","300997","2025-07-06","17:18:26",""
"1573872","6.4624","0.0005","7.3908","0.0005","13.2977","0.0011","90","","101.493","0.008","90","","622.39","0.08","300","2","300","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H13 N -","- C18 H13 N -","- C36 H26 N2 -","2","1","","Du, Jiajun; Chen, Jinling; Ouyang, Beilin; Sun, Anxin; Tian, Congcong; Zhuang, Rongshan; Chen, Chen; Liu, Shuo; Chen, Qianwen; Li, Ziyi; Wu, Xiling; Cai, Jingyu; Zhao, Yuyang; Li, Ran; Xue, Teng; Cen, Tiantian; Zhao, Kaibo; Chen, Chun-Chao","Face-on oriented self-assembled molecules with enhanced π–π stacking for highly efficient inverted perovskite solar cells on rough FTO substrates","Energy & Environmental Science","2025","18","7","3196","3210","10.1039/D4EE05849F","","","1.54184","CuKα","","0.0498","0.0404","","","0.105","0.1293","","","","","","1.003","","","","has coordinates","300997","2025-07-06","17:18:27",""
"1574095","10.5853","0.0018","21.091","0.004","23.544","0.005","69.159","0.015","81.645","0.013","89.253","0.014","4856","1.7","223","","223","","","","","","","","","6","P -1","-P 1","2","","CD-1","","- C99 H107 Cl7 N8 O4 S4 -","- C96 H98 Cl4 N8 O2 S4 -","- C192 H196 Cl8 N16 O4 S8 -","2","1","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Zhong, Yanyi; Long, Yuhong; Wang, Peiran; Tu, Kaihuai; Zhong, Cheng; Zhang, Jiangbin; Rakitin, Oleg A.; Yao, Zhaoyang; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","“Head surgery” of polycyclic o-quinones with cyanated aromatic rings towards high electron mobility acceptors enables 19.6% efficiency in additive-free binary organic solar cells","Energy & Environmental Science","2025","18","8","3773","3783","10.1039/D5EE00031A","","x-ray","1.54178","CuKα","","0.1436","0.1078","","","0.3004","0.3403","","","","","","1.198","","","","has coordinates","300996","2025-07-06","17:18:16",""
"1574096","29.131","0.005","22.225","0.004","14.008","0.002","90","","111.957","0.011","90","","8411","2","223","","223","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","CD-2","","- C90 H94 Cl4 N8 O2 S5 -","- C90 H94 Cl4 N8 O2 S5 -","- C360 H376 Cl16 N32 O8 S20 -","4","0.5","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Zhong, Yanyi; Long, Yuhong; Wang, Peiran; Tu, Kaihuai; Zhong, Cheng; Zhang, Jiangbin; Rakitin, Oleg A.; Yao, Zhaoyang; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","“Head surgery” of polycyclic o-quinones with cyanated aromatic rings towards high electron mobility acceptors enables 19.6% efficiency in additive-free binary organic solar cells","Energy & Environmental Science","2025","18","8","3773","3783","10.1039/D5EE00031A","","x-ray","1.54178","CuKα","","0.1381","0.1054","","","0.3007","0.3433","","","","","","1.306","","","","has coordinates","300996","2025-07-06","17:18:17",""
"1574295","17.182","0.003","19.052","0.004","19.726","0.004","104.389","0.009","108.549","0.009","92.542","0.009","5876","2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H155 F4 N9 O2 S4 -","- C126 H155 F4 N9 O2 S4 -","- C252 H310 F8 N18 O4 S8 -","2","1","","Liu, Jian; Wang, Ruohan; Li, Longyu; Zhao, Wenkai; Suo, Zhaochen; Shi, Wendi; Long, Guankui; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng","Fine-tuning central extended unit symmetry via atom-level asymmetric molecular design enables efficient binary organic solar cells","Energy & Environmental Science","2025","18","9","4470","4479","10.1039/D4EE06155A","","x-ray","1.34139","GaKα","","0.1953","0.1323","","","0.3177","0.3508","","","","","","1.084","","","","has coordinates","300998","2025-07-06","17:18:41",""
"1574296","17.43","0.005","18.929","0.005","19.665","0.005","104.767","0.008","108.463","0.009","91.368","0.008","5912","3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C127 H156 Br F4 N9 O2 S4 -","- C127 H156 Br F4 N9 O2 S4 -","- C254 H312 Br2 F8 N18 O4 S8 -","2","1","","Liu, Jian; Wang, Ruohan; Li, Longyu; Zhao, Wenkai; Suo, Zhaochen; Shi, Wendi; Long, Guankui; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng","Fine-tuning central extended unit symmetry via atom-level asymmetric molecular design enables efficient binary organic solar cells","Energy & Environmental Science","2025","18","9","4470","4479","10.1039/D4EE06155A","","x-ray","1.34139","GaKα","","0.2932","0.1554","","","0.3485","0.4025","","","","","","1.175","","","","has coordinates,has disorder","300998","2025-07-06","17:18:41",""
"1575336","9.335","0.0011","7.6154","0.0007","12.7755","0.0015","90","","102.794","0.004","90","","885.66","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Kishkentayeva, Anarkul; Kopbalina, Kymbat; Shaimerdenova, Zhanar; Shults, Elvira; Gatilov, Yury; Pankin, Dmitrii; Smirnov, Mikhail; Povolotckaia, Anastasia; Turdybekov, Dastan; Mazhenov, Nurlan","Investigation of N-(2-oxo-2H-chromen-3-carbonyl)cytisine's Crystal Structure and Optical Properties.","Materials (Basel, Switzerland)","2025","18","13","3153","","10.3390/ma18133153","","","0.71073","MoKα","","0.0733","0.0448","","","0.1034","0.119","","","","","","1.02","","","","has coordinates","301667","2025-08-06","11:28:22",""
"1575635","24.281","0.018","23.137","0.015","32.47","0.02","90","","106.79","0.02","90","","17464","2","223","","223","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","QX-Cl","","- C86 H91 Cl F4 N8 O2 S4 -","- C86 H91 Cl F4 N8 O2 S4 -","- C688 H728 Cl8 F32 N64 O16 S32 -","8","1","","Hu, Kewei; Ge, Yu; Yang, Hang; Xu, Yue; Qian, Jiahao; Zhu, Xuncheng; Wu, Yue; Cui, Chaohua; Li, Yongfang","Dispersion effect of chlorination-induced intermolecular stacking optimization of small-molecule acceptors for high-performance organic solar cells","Energy & Environmental Science","2025","18","20","9194","9204","10.1039/D5EE04322K","","x-ray","0.71073","MoKα","","0.2365","0.1459","","","0.3053","0.3449","","","","","","1.148","","","","has coordinates,has disorder","303831","2025-11-29","21:24:49",""
"1575636","25.308","0.015","22.928","0.014","33.61","0.02","90","","108.86","0.017","90","","18456","19","223","","223","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","QX","","- C86 H92 F4 N8 O2 S4 -","- C86 H92 F4 N8 O2 S4 -","- C688 H736 F32 N64 O16 S32 -","8","1","","Hu, Kewei; Ge, Yu; Yang, Hang; Xu, Yue; Qian, Jiahao; Zhu, Xuncheng; Wu, Yue; Cui, Chaohua; Li, Yongfang","Dispersion effect of chlorination-induced intermolecular stacking optimization of small-molecule acceptors for high-performance organic solar cells","Energy & Environmental Science","2025","18","20","9194","9204","10.1039/D5EE04322K","","x-ray","0.71073","MoKα","","0.2259","0.1428","","","0.3081","0.3475","","","","","","1.091","","","","has coordinates","303831","2025-11-29","21:24:50",""
"1575637","24.133","0.002","23.5227","0.0019","32.585","0.003","90","","106.033","0.002","90","","17778","3","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","QX-2Cl","","- C86 H90 Cl2 F4 N8 O2 S4 -","- C86 H90 Cl2 F4 N8 O2 S4 -","- C688 H720 Cl16 F32 N64 O16 S32 -","8","1","","Hu, Kewei; Ge, Yu; Yang, Hang; Xu, Yue; Qian, Jiahao; Zhu, Xuncheng; Wu, Yue; Cui, Chaohua; Li, Yongfang","Dispersion effect of chlorination-induced intermolecular stacking optimization of small-molecule acceptors for high-performance organic solar cells","Energy & Environmental Science","2025","18","20","9194","9204","10.1039/D5EE04322K","","x-ray","0.71073","MoKα","","0.2128","0.1475","","","0.3221","0.3527","","","","","","1.192","","","","has coordinates","303831","2025-11-29","21:24:50",""
"2300523","2.861","","5.8234","","4.9736","","90","","90","","90","","82.864","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","(Ti0.04 U0.96)","","- Ti0.04 U0.96 -","- Ti0.04 U0.96 -","- Ti0.16 U3.84 -","4","0.25","","Choi, C.S.; Prask, H.J.","Neutron difraction studies of two uranium-0.75 wt.% titanium alloys","Journal of Applied Crystallography","1985","18","","141","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","148678","2020-10-21","18:00:00",""
"2310069","6.55","","8.671","","17.511","","90","","90.3","","90","","994.524","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ag2 O (B2 O3)4","","- Ag2 B8 O13 -","- Ag2 B8 O13 -","- Ag8 B32 O52 -","4","1","","Krogh-Moe, J.","The crystal structure of silver tetraborate, Ag2 O (B2 O3)4","Acta Crystallographica (1,1948-23,1967)","1965","18","","77","81","10.1107/S0365110X65000142","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310076","3.6009","","3.6009","","3.6009","","90","","90","","90","","46.691","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Gd -","- Au Gd -","- Au Gd -","1","0.0208333","","Gschneidner, K.A.jr.","Crystal structures of some equi-atomic gadolinium compounds","Acta Crystallographica (1,1948-23,1967)","1965","18","","1082","1083","10.1107/S0365110X6500258X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310145","15.6","","15.6","","3.828","","90","","90","","90","","931.582","","","","","","","","","","","","","3","I -4","I -4","82","","Phosphorus Niobium Oxide (1/9/25)","","- Nb9 O25 P -","- Nb9 O25 P -","- Nb18 O50 P2 -","2","0.25","","Roth, R. S.; Wadsley, A. D.; Andersson, S.","The crystal structure of PNb~9~O~25~, (P~2~O~5~ . 9Nb~2~O~5~)","Acta Crystallographica","1965","18","4","643","647","10.1107/s0365110x65001500","","","","","","","","","","","","","","","","","","","","","has coordinates","200781","2020-10-21","18:00:00",""
"2310183","3.464","","3.464","","3.464","","90","","90","","90","","41.566","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Sm -","- Rh Sm -","- Rh Sm -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310184","3.417","","3.417","","3.417","","90","","90","","90","","39.897","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Tb -","- Rh Tb -","- Rh Tb -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310185","3.358","","3.358","","3.358","","90","","90","","90","","37.865","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Tm -","- Rh Tm -","- Rh Tm -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310186","3.383","","3.383","","3.383","","90","","90","","90","","38.717","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Ir -","- Ho Ir -","- Ho Ir -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh,Ir,Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310187","3.353","","3.353","","3.353","","90","","90","","90","","37.696","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir Tm -","- Ir Tm -","- Ir Tm -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310203","3.893","","3.893","","3.893","","90","","90","","90","","59","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Pd0.5 Ru0.5)3 Ta","","- Pd1.5 Ru1.5 Ta -","- Pd1.5 Ru1.5 Ta -","- Pd1.5 Ru1.5 Ta -","1","0.0208333","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310204","5.517","","5.517","","20.26","","90","","90","","120","","534.043","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Pd0.72 Rh0.28)3 Ta","","- Pd2.16 Rh0.84 Ta -","- Pd2.16 Rh0.84 Ta -","- Pd19.44 Rh7.56 Ta9 -","9","0.25","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310205","5.52","","5.52","","22.43","","90","","90","","120","","591.886","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Pd0.67 Rh0.33)3 Ta","","- Pd2.01 Rh0.99 Ta -","- Pd2.01 Rh0.99 Ta -","- Pd20.1 Rh9.9 Ta10 -","10","0.416667","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310206","5.791","","6.756","","2.796","","90","","90","","90","","109.391","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ir V -","- Ir V -","- Ir4 V4 -","4","0.25","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II.","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310223","6.178","","6.178","","28.031","","90","","90","","120","","926.542","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ga3 Pu -","- Ga3 Pu -","- Ga36 Pu12 -","12","0.333333","","Larson, A.C.; Roof, R.B.jr.; Cromer, D.T.","The crystal structure of the high-temperature form of Pu Ga3","Acta Crystallographica (1,1948-23,1967)","1965","18","","294","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310240","6.837","","6.837","","6.837","","90","","90","","90","","319.593","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Li Mg2 Tl -","- Li Mg2 Tl -","- Li4 Mg8 Tl4 -","4","0.0208333","","Ramsey, W.J.","Li Mg2 Tl: preparation and structure","Acta Crystallographica (1,1948-23,1967)","1965","18","","817","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310247","4.114","","7.14","","5.501","","90","","90","","90.05","","161.586","","","","","","","","","","","","","2","P 1 1 21/b","-P 2bc","14","","","","- Ni Y -","- Ni Y -","- Ni4 Y4 -","4","1","","Smith, J.F.; Hansen, D.A.","The structure of Y Ni","Acta Crystallographica (1,1948-23,1967)","1965","18","","60","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310260","10.511","","10.511","","28.362","","90","","90","","120","","2713.66","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg4 Sr -","- Mg4 Sr -","- Mg72 Sr18 -","18","0.75","","Wang, F.E.; King, A.J.; Kanda, F.A.; Miskell, C.F.","The crystal structures of Sr6 Mg23, Sr Mg4, Ba6 Mg23 and Ba Li4","Acta Crystallographica (1,1948-23,1967)","1965","18","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310261","14.914","","14.914","","14.914","","90","","90","","90","","3317.28","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg23 Sr6 -","- Mg23 Sr6 -","- Mg92 Sr24 -","4","0.0208333","","Wang, F.E.; Kanda, F.A.; Miskell, C.F.; King, A.J.","The crystal structures of Sr6 Mg23, Sr Mg4, Ba6 Mg23 and Ba Li4","Acta Crystallographica (1,1948-23,1967)","1965","18","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310283","5.1245","","5.1245","","4.1125","","90","","90","","120","","93.528","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Co3 Mo -","- Co3 Mo -","- Co6 Mo2 -","2","0.0833333","","D'Alte da Veiga, L.M.","Refinement of the structure of the phase Co3 Mo","Acta Crystallographica (1,1948-23,1967)","1965","18","","855","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310285","3.372","","3.372","","3.372","","90","","90","","90","","38.341","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Rh -","- Er Rh -","- Er Rh -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310294","3.502","","3.502","","3.502","","90","","90","","90","","42.949","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cu Gd -","- Cu Gd -","- Cu Gd -","1","0.0208333","","Gschneidner, K.A.jr.","Crystal structures of some equi-atomic gadolinium compounds","Acta Crystallographica (1,1948-23,1967)","1965","18","","1082","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310402","11.62","","5.49","","8.44","","90","","97.7","","90","","533.565","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na5 Zr2 F13","","- F13 Na5 Zr2 -","- F13 Na5 Zr2 -","- F26 Na10 Zr4 -","2","0.25","","Herak, R.M.; Malcic, S.S.; Manojlovic, L.M.","The Crystal Structure of Sodium Tridecafluorodizirconate","Acta Crystallographica (1,1948-23,1967)","1965","18","","520","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","149114","2020-10-21","18:00:00",""
"2310455","23.665","","23.665","","9.253","","90","","90","","120","","4487.73","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na Cl (N H3)5.143","","- Cl H15.429 N5.143 Na -","- Cl H15.4286 N5.14286 Na -","- Cl21 H324 N108 Na21 -","21","1.16667","","Olovsson, I.","The Crystal Structure of Na Cl (N H3)5.143 and Na Br (N H3)5.143","Acta Crystallographica (1,1948-23,1967)","1965","18","","879","889","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310456","24.343","","24.343","","9.462","","90","","90","","120","","4855.81","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na Br (N H3)5.143","","- Br H15.429 N5.143 Na -","- Br H15.4286 N5.14286 Na -","- Br21 H324 N108 Na21 -","21","1.16667","","Olovsson, I.","The Crystal Structure of Na Cl (N H3)5.143 and Na Br (N H3)5.143","Acta Crystallographica (1,1948-23,1967)","1965","18","","879","889","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310520","4.021","","4.021","","10.493","","90","","90","","90","","169.655","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Th Mn2 Si2","","- Mn2 Si2 Th -","- Mn2 Si2 Th -","- Mn4 Si4 Th2 -","2","0.0625","","Ban, Z.; Sikirica, M.","The crystal structure of ternary silicides Th M2 Si2 (M=Cr,Mn,Fe,Co,Ni,Cu)","Acta Crystallographica (1,1948-23,1967)","1965","18","","594","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310521","4.076","","4.076","","9.551","","90","","90","","90","","158.678","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Th Ni2 Si2","","- Ni2 Si2 Th -","- Ni2 Si2 Th -","- Ni4 Si4 Th2 -","2","0.0625","","Ban, Z.; Sikirica, M.","The crystal structure of ternary silicides Th M2 Si2 (M=Cr,Mn,Fe,Co,Ni,Cu)","Acta Crystallographica (1,1948-23,1967)","1965","18","","594","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310522","4.038","","4.038","","9.82","","90","","90","","90","","160.119","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Th Fe2 Si2","","- Fe2 Th -","- Fe2 Th -","- Fe4 Th2 -","2","0.0625","","Ban, Z.; Sikirica, M.","The crystal structure of ternary silicides Th M2 Si2 (M=Cr,Mn,Fe,Co,Ni,Cu)","Acta Crystallographica (1,1948-23,1967)","1965","18","","594","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310523","4.015","","4.015","","9.76","","90","","90","","90","","157.333","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Th Co2 Si2","","- Co2 Th -","- Co2 Th -","- Co4 Th2 -","2","0.0625","","Ban, Z.; Sikirica, M.","The crystal structure of ternary silicides Th M2 Si2 (M=Cr,Mn,Fe,Co,Ni,Cu)","Acta Crystallographica (1,1948-23,1967)","1965","18","","594","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310529","5.473","","6.372","","3.416","","90","","90","","90","","119.129","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ag N C O","","- C Ag N O -","- C Ag N O -","- C2 Ag2 N2 O2 -","2","0.5","","Britton, D.; Dunitz, J.D.","The Crystal Structure of Silver cyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","424","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310532","3.43","","3.43","","12.71","","90","","90","","120","","129.498","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se4 Ta2 -","2","0.0833333","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310533","3.45","","3.45","","18.88","","90","","90","","120","","194.613","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","","- Nb Se2 -","- Nb Se2 -","- Nb3 Se6 -","3","0.166667","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310534","3.44","","3.44","","25.24","","90","","90","","120","","258.665","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- Nb Se2 -","- Nb Se2 -","- Nb4 Se8 -","4","0.333333","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytypism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310535","3.46","","3.46","","25.18","","90","","90","","120","","261.059","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se8 Ta4 -","4","0.166667","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310541","3.63","","3.63","","6.094","","90","","90","","90","","80.3","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","Pu C2","","- Pu -","- Pu -","- Pu2 -","2","0.0625","","Chackraburtty, D.M.; Jayadevan, N.C.","Crystal chemistry of higher carbides of plutonium","Acta Crystallographica (1,1948-23,1967)","1965","18","","811","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310543","4.991","","4.991","","16.9719","","90","","90","","120","","366.131","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ca (C O3)","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Chessin, H.; Post, B.; Hamilton, W.C.","Position and termal parameters of oxygen atoms in calcite","Acta Crystallographica (1,1948-23,1967)","1965","18","","689","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310560","6.934","","6.934","","10.72","","90","","90","","90","","515.421","","","","","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","Sr3 (Si O4) O","","- O5 Si Sr3 -","- O5 Si Sr3 -","- O20 Si4 Sr12 -","4","0.25","","Dent Glasser, L.S.; Glasser, F.P.","Silicates M3 Si O5. I. Sr3 Si O5","Acta Crystallographica (1,1948-23,1967)","1965","18","","453","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310562","8.14","","11.43","","11.39","","90","","90","","90","","1059.73","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- P4 S6.78 -","- P4 S6.78 -","- P16 S27.12 -","4","0.5","","Dixon, D.T.; Einstein, F.W.B.; Penfold, B.R.","The molecular and crystal structure of sulfur-deficient tetraphosphorus heptasulfide (P4 S7 - beta)","Acta Crystallographica (1,1948-23,1967)","1965","18","","221","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310565","8.74","","8.87","","6.14","","90","","90","","90","","475.996","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","I F7","","- F7 I -","- F7 I -","- F28 I4 -","4","","","Donohue, J.","Concerning the evidence for the molecular symmetry of I F7","Acta Crystallographica (1,1948-23,1967)","1965","18","","1018","1021","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310569","8.67","","6.7","","4.75","","90","","96.4","","90","","274.203","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Co S O4","","- Co O4 S -","- Co O4 S -","- Co2 O8 S2 -","2","0.5","","Dunitz, J.D.","Polymorphism in anhydrous cobalt sulphate","Acta Crystallographica (1,1948-23,1967)","1965","18","","737","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310575","7.141","","14.756","","4.214","","90","","105.5","","90","","427.891","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Zn (N2 H4)2) (N C S)2","","- C2 H8 N6 S2 Zn -","- C2 H8 N6 S2 Zn -","- C4 H16 N12 S4 Zn2 -","2","0.5","","Ferrari, A.; Braibanti, A.; Bigliardi, G.; Lanfredi, A.M.M.","The crystal structure of bis(hydrazine)zinc isothiocyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310579","9.357","","3.3823","","7.792","","90","","119.46","","90","","214.717","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Nb As2","","- As2 Nb -","- As2 Nb -","- As8 Nb4 -","4","1","","Furuseth, S.; Kjekshus, A.","The crystal structures of Nb As2 and Nb Sb2","Acta Crystallographica (1,1948-23,1967)","1965","18","","320","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310580","10.239","","3.6319","","8.333","","90","","120.07","","90","","268.174","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Nb Sb2 -","- Nb Sb2 -","- Nb4 Sb8 -","4","0.5","","Furuseth, S.; Kjekshus, A.","The crystal structures of Nb As2 and Nb Sb2","Acta Crystallographica (1,1948-23,1967)","1965","18","","320","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310588","3.082","","3.082","","60.49","","90","","90","","120","","497.599","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Si C","","- C Si -","- C Si -","- C24 Si24 -","24","1.33333","","Gomes de Mesquita, A.H.","The structure of a silicone carbide polytype 24R","Acta Crystallographica (1,1948-23,1967)","1965","18","","128","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310604","11.5","","11.25","","9.65","","90","","90","","90","","1248.47","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","K H (Si O3)","","- H K O3 Si -","- K O3 Si -","- K16 O48 Si16 -","16","","","Hilmer, W.","Die Kristallstruktur des sauren Kaliummetasilicates K4 (H Si O3)4. Korrektur.","Acta Crystallographica (1,1948-23,1967)","1965","18","","574","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310622","7.418","","11.702","","14.745","","90","","90","","90","","1279.95","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 O (B2 O3)5","","- B10 K2 O16 -","- B10 K2 O16 -","- B40 K8 O64 -","4","0.5","","Krogh-Moe, J.","Least-squares refinement of the crystal structure of potassium pentaborate","Acta Crystallographica (1,1948-23,1967)","1965","18","","1088","1089","","","","","","","","","","","","","","","","","","","","","","has coordinates","151162","2020-10-21","18:00:00",""
"2310625","10.62","","18.42998","","5.02","","90","","90","","90","","982.546","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn3 (P O4)2 (H2 O)4","","- H8 O12 P2 Zn3 -","- O12 P2 Zn3 -","- O48 P8 Zn12 -","4","0.5","","Liebau, F.","Zur Kristallstuktur des Hopeits, Zn3 (P O4)2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1965","18","","352","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","151263","2020-10-21","18:00:00",""
"2310634","9.636","","9.636","","5.28","","90","","90","","90","","490.261","","","","","","","","","","","","","2","P -4 21 c","P -4 2n","114","","(Se O3)4","","- O12 Se4 -","- O12 Se4 -","- O24 Se8 -","2","0.25","","Mijlhoff, F.C.","The crystal structure of tetragonal selenium trioxide","Acta Crystallographica (1,1948-23,1967)","1965","18","","795","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310640","12.66","","3.7921","","6.6147","","90","","107.9","","90","","302.187","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Ga Nb O4 -","- Ga Nb O4 -","- Ga4 Nb4 O16 -","4","1","","Morosin, B.; Rosenzweig, A.","The crystal structure of Ga Nb O4","Acta Crystallographica (1,1948-23,1967)","1965","18","","874","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310645","7.928","","13.214","","7.708","","90","","90","","90","","807.495","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Na3 P3 O9","","- Na3 O9 P3 -","- Na3 O9 P3 -","- Na12 O36 P12 -","4","0.5","","Ondik, H.M.","The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1965","18","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310646","8.5","","13.189","","7.558","","90","","90","","90","","847.301","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Na3 P3 O9 (H2 O)","","- H2 Na3 O10 P3 -","- H2 Na3 O10 P3 -","- H8 Na12 O40 P12 -","4","0.5","","Ondik, H.M.","The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1965","18","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2310657","29.78","","3.821","","21.12","","90","","94.9","","90","","2394.45","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Ti Nb24 O62","","- Nb24 O62 Ti -","- Nb24 O62 Ti -","- Nb48 O124 Ti2 -","2","0.5","","Roth, R.S.; Wadsley, A.D.","Mixed oxides of titanium and niobium: the crystal structure of Ti Nb24 O62 (Ti O2.12 Nb2 O5)","Acta Crystallographica (1,1948-23,1967)","1965","18","","724","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310660","9.08","","8.75","","13.61","","90","","97","","90","","1073.26","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg Th (N O3)6 (H2 O)8","","- H16 Mg N6 O26 Th -","- H16 Mg N6 O26 Th -","- H32 Mg2 N12 O52 Th2 -","2","0.5","","Scavnicar, S.; Prodic, B.","The crystal structure of double nitrate octahydrates of thorium and bivalent metals","Acta Crystallographica (1,1948-23,1967)","1965","18","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310661","7.38","","33.6","","7.16","","90","","90","","90","","1775.45","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Sr (V O3)2 (H2 O)4","","- H8 O10 Sr V2 -","- O10 Sr V2 -","- O40 Sr4 V8 -","4","0.5","","Sedlacek, P.; Dornberger-Schiff, K.","Das Strukturprinzip des Strontiumvanadat, Sr (V O3)2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1965","18","","407","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310665","6.1484","","7.0173","","3.6698","","90","","90","","90","","158.334","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Ti Ni Si","","- Ni Si Ti -","- Ni Si Ti -","- Ni4 Si4 Ti4 -","4","0.5","","Shoemaker, C.B.; Shoemaker, D.P.","A ternary alloy with Pb Cl2 - type structure: Ti Ni Si(e)","Acta Crystallographica (1,1948-23,1967)","1965","18","","900","905","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310674","4.75","","4.75","","2.47","","90","","90","","90","","55.729","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Be O -","- Be O -","- Be4 O4 -","4","0.25","","Smith, D.K.jr.; Cline, C.F.","The crystal structure of beta - beryllia","Acta Crystallographica (1,1948-23,1967)","1965","18","","393","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310675","5.091","","11.371","","6.782","","90","","90","","90","","392.608","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ca2 (Si O4)","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca8 O16 Si4 -","4","0.5","","Smith, D.K.jr.; Ordway, F.; Majumdar, A.","The structure of gamma dicalcium silicate","Acta Crystallographica (1,1948-23,1967)","1965","18","","787","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310682","12.54","","12.54","","4.01","","90","","90","","90","","630.579","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ba6 Ti2 Nb8 O30","","- Ba6 Nb8 O30 Ti2 -","- Ba6 Nb8 O30 Ti2 -","- Ba6 Nb8 O30 Ti2 -","1","0.125","","Stephenson, N.C.","The crystal structure of the tetragonal bronze Ba6 Ti2 Nb8 O30","Acta Crystallographica (1,1948-23,1967)","1965","18","","496","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","151691","2020-10-21","18:00:00",""
"2310689","13.22","","10.58","","7.88","","90","","90","","90","","1102.16","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","(N H3)5 Co O2 Co (N H3)5 (S C N)4","","- C4 H30 Co2 N14 O2 S4 -","- C4 Co2 N14 O2 S4 -","- C8 Co4 N28 O4 S8 -","2","0.25","","Vannerberg, N.I.","The Crystal Structure of Decammine-mue-peroxodicobalt(III) Tetrathiocyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","449","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","151818","2020-10-21","18:00:00",""
"2310693","6.97","","6.97","","17.27","","90","","90","","120","","726.589","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","K Al3 (S O4)2 (O H)6","","- Al3 H6 K O14 S2 -","- Al3 H6 K O14 S2 -","- Al9 H18 K3 O42 S6 -","3","0.0833333","","Wang, R.; Bradley, W.F.; Steinfink, H.","The crystal structure of Alunite","Acta Crystallographica (1,1948-23,1967)","1965","18","","249","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310696","5.08","","5.08","","18.59","","90","","90","","90","","479.741","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Zn P2","","- P2 Zn -","- P2 Zn -","- P16 Zn8 -","8","1","","White, J.G.","The crystal structure of the tetragonal modification of Zn P2","Acta Crystallographica (1,1948-23,1967)","1965","18","","217","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310892","3.204","","3.204","","3.204","","90","","90","","90","","32.891","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Sc -","- Rh Sc -","- Rh Sc -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310893","3.407","","3.407","","3.407","","90","","90","","90","","39.547","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Y -","- Rh Y -","- Rh Y -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310894","3.388","","3.388","","3.388","","90","","90","","90","","38.889","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Rh -","- Ho Rh -","- Ho Rh -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310895","3.332","","3.332","","3.332","","90","","90","","90","","36.993","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir Lu -","- Ir Lu -","- Ir Lu -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310896","3.332","","3.332","","3.332","","90","","90","","90","","36.993","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Lu Rh -","- Lu Rh -","- Lu Rh -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310907","5.52","","5.52","","22.43","","90","","90","","120","","591.886","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd3 Ta -","- Pd3 Ta -","- Pd30 Ta10 -","10","0.416667","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II.","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310908","3.887","","3.887","","3.651","","90","","90","","90","","55.162","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ir V -","- Ir V -","- Ir2 V2 -","2","0.125","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II.","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310946","5.656","","9.199","","16.843","","90","","90","","90","","876.334","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Nb6 Sn5 -","- Nb6 Sn4.92 -","- Nb24 Sn19.68 -","4","0.25","","Ogren, J.R.; Ellis, T.G.; Smith, J.F.","The structure of Nb6 Sn5","Acta Crystallographica (1,1948-23,1967)","1965","18","","968","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310958","8.017","","10.309","","3.735","","90","","90","","90","","308.687","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(N H4)2 (C2 O4) (H2 O)","","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Robertson, J.H.","Ammonium oxalate monohydrate: structure refinement at 30 K","Acta Crystallographica (1,1948-23,1967)","1965","18","","410","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310998","12.3","","12.3","","7.34","","90","","90","","90","","1110.47","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ca (C O2)2 (H2 O)2.2","","- C2 H4.4 Ca O6.2 -","- C2 Ca O6.2 -","- C16 Ca8 O49.6 -","8","0.5","","Sterling, C.","Crystal structure analysis of weddellite, Ca C2 O4 * (2+x)H2 O","Acta Crystallographica (1,1948-23,1967)","1965","18","","917","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311014","4.56","","4.56","","10.81","","90","","90","","90","","224.779","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ba Ga4 -","- Ba Ga4 -","- Ba2 Ga8 -","2","0.0625","","Bruzzone, G.","M X4-compounds of alkaline earth metals with IIB group elements","Acta Crystallographica (1,1948-23,1967)","1965","18","","1081","1082","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"3000196","7.5409","0.0003","21.4401","0.0008","11.7364","0.0005","90","","91.352","0.002","90","","1896.99","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N10 O9 S Zn -","- C10 H20 N10 O9 S Zn -","- C40 H80 N40 O36 S4 Zn4 -","4","1","","José Manuel Méndez-Arriaga; Erika Rubio-Mirallas; Miguel Quirós; Manuel Sánchez-Moreno","Zinc 1,2,4-triazolo[1,5-a]pyrimidine Complexes: Synthesis, Structural Characterization and their Effect Against Chagas Disease.","Medicinal chemistry (Shariqah (United Arab Emirates))","2022","18","4","444","451","10.2174/1573406417666210812162500","","","0.71073","MoKα","","0.0357","0.0294","","","0.1014","0.1078","","","","","","0.892","","","","has coordinates,has Fobs","279524","2022-11-24","07:15:15",""
"4000670","19.112","0.0014","10.2646","0.0008","12.602","0.0012","90","","90","","90","","2472.2","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Dy2 P4 S16 -","- Ba3 Dy2 P4 S16 -","- Ba12 Dy8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0374","0.0275","","","0.0771","0.0985","","","","","","1.217","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000671","19.078","0.003","10.2413","0.0019","12.5682","0.0017","90","","90","","90","","2455.6","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Er2 P4 S16 -","- Ba3 Er2 P4 S16 -","- Ba12 Er8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0298","0.0272","","","0.0671","0.0682","","","","","","1.142","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000672","19.127","0.003","10.2795","0.0005","12.648","0.0016","90","","90","","90","","2486.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Gd2 P4 S16 -","- Ba3 Gd2 P4 S16 -","- Ba12 Gd8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0573","0.0463","","","0.1547","0.1613","","","","","","1.103","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000673","19.088","0.003","10.2481","0.0013","12.565","0.002","90","","90","","90","","2457.9","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Ho2 P4 S16 -","- Ba3 Ho2 P4 S16 -","- Ba12 Ho8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0476","0.0294","","","0.0684","0.0729","","","","","","1.023","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000674","19.113","0.002","10.261","0.0011","12.616","0.002","90","","90","","90","","2474.2","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 P4 S16 Tb2 -","- Ba3 P4 S16 Tb2 -","- Ba12 P16 S64 Tb8 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0884","0.0474","","","0.1473","0.1621","","","","","","1.061","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000675","12.981","0.003","10.09","0.002","22.939","0.005","90","","91.3","0.03","90","","3003.7","1","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc","Field Effect Studies on Rubrene and Impurities of Rubrene","Chem. Mater.","2006","18","2","244","248","10.1021/cm0502626","","","0.71073","MoKα","","0.1146","0.0684","","0.0771","0.0642","0.0642","","","","","","1.1574","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000676","10.315","0.004","12.055","0.004","12.583","0.005","92.83","0.03","84.46","0.03","116.99","0.04","1387.7","1","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C42 H26 -","- C42 H26 -","- C84 H52 -","2","1","","Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc","Field Effect Studies on Rubrene and Impurities of Rubrene","Chem. Mater.","2006","18","2","244","248","10.1021/cm0502626","","","0.71073","MoKα","","0.2876","0.1068","","0.1806","0.1229","0.1229","","","","","","1.1536","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000677","10.192","0.002","17.764","0.004","24.437","0.005","90","","91.19","0.03","90","","4423.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N12 O19.9 Zn5 -","- C32 H20 N12 O19.896 Zn5 -","- C128 H80 N48 O79.584 Zn20 -","4","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.71073","MoKα","","0.0754","0.0496","","","0.1309","0.1562","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000678","7.797","0.0016","10.047","0.002","13.577","0.003","110.18","0.03","105.46","0.03","93.9","0.03","947","0.3","103","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N9 O6 Zn2 -","- C14 H11 N9 O6 Zn2 -","- C28 H22 N18 O12 Zn4 -","2","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.48595","synchrotron","","0.0361","0.0345","","","0.0926","0.0934","","","","","","1.146","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000679","13.475","0.003","26.949","0.005","13.509","0.003","90","","95.18","0.03","90","","4885.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N12 O24 Zn4 -","- C24 H16 N12 O24 Zn4 -","- C96 H64 N48 O96 Zn16 -","4","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.48595","synchrotron","","0.0633","0.0575","","","0.1483","0.1524","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000680","4.0829","0.0006","4.0829","0.0006","17.595","0.004","90","","90","","120","","254.02","0.07","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu In2 P2 -","- Eu In2 P2 -","- Eu2 In4 P4 -","2","0.0833333","","Jiong Jiang; Susan M. Kauzlarich","Colossal Magnetoresistance in a Rare Earth Zintl Compound with a New Structure Type: EuIn2P2","Chem. Mater.","2006","18","2","435","441","10.1021/cm0520362","","","0.71073","MoKα","","0.0176","0.0176","","","0.0345","0.0345","","","","","","1.589","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4000681","7.3474","0.0002","28.7742","0.0009","15.6631","0.0004","90","","90","","90","","3311.42","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","2,7-Bis(3,4,5-trimethoxyphenylethenyl)-9,9-diethylfluorene","","","- C39 H42 O6 -","- C39.1 H32 O6 -","- C156.4 H128 O24 -","4","0.5","","Hemali P. Rathnayake; Ali Cirpan; Paul M. Lahti; Frank E. Karasz","Optimizing LED Properties of 2,7-Bis(phenylethenyl)fluorenes","Chem. Mater.","2006","18","2","560","566","10.1021/cm052144o","","","0.71073","MoKα","","0.1025","0.0713","","","0.1595","0.1754","","","","","","1.094","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000682","32.603","0.007","10.617","0.002","10.718","0.002","90","","108.26","0.03","90","","3523.2","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B H11 Mn4.5 N2 O21 P5 -","- B H7 Mn4.5 N2 O21 P5 -","- B8 H56 Mn36 N16 O168 P40 -","8","1","","Miao Yang; Jihong Yu; Lei Shi; Peng Chen; Guanghua Li; Yan Chen; Ruren Xu; Song Gao","Synthesis, Structure, and Magnetic Property of a New Open-Framework Manganese Borophosphate, [NH4]4[Mn9B2(OH)2(HPO4)4(PO4)6]","Chem. Mater.","2006","18","2","476","481","10.1021/cm052170m","","","0.71073","MoKα","","0.0374","0.0313","","","0.0801","0.0835","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001474","12.2392","0.0004","12.2392","0.0004","12.4357","0.0009","90","","90","","120","","1613.27","0.14","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Sb5 Zn5.92 -","- Sb5 Zn5.916 -","- Sb30 Zn35.496 -","6","0.166667","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0238","0.0228","","","0.0543","0.0548","","","","","","1.122","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001475","10.8779","0.0015","12.2252","0.0017","8.1847","0.0011","90","","100.044","0.002","90","","1071.8","0.3","238","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Sb5 Zn6.03 -","- Sb5 Zn6.02 -","- Sb20 Zn24.08 -","4","0.5","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0334","0.026","","","0.0621","0.0662","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001476","9.5354","","9.5354","","15.7676","","90","","90","","120","","1241.58","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate","","- B H6 O10 P2 Sc -","- B O10 P2 Sc -","- B6 O60 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0377","0.0366","","","0.0304","0.0305","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001477","9.5752","0.0003","9.5752","0.0003","15.8145","0.0006","90","","90","","120","","1255.69","0.07","293","2","295.15","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B H4 O11 P2 Sc -","- B6 H24 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","","","0.7107","MoKα","","","0.033","","","","0.08","","","","","","1.275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001478","9.5739","","9.5739","","15.8069","","90","","90","","120","","1254.74","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B O11 P2 Sc -","- B6 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0348","0.0344","","","0.0343","0.0343","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001479","13.099","0.003","14.454","0.003","16.987","0.004","90","","97.546","0.004","90","","3188.3","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","04088bbb","N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase IV]","","- C9 H16 F6 N2 O4 S2 -","- C9 H16 F6 N2 O4 S2 -","- C72 H128 F48 N16 O32 S16 -","8","2","","Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.","Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide","Chemistry of Materials","2006","18","4","934","938","10.1021/cm051936f","","","0.71073","MoKα","","0.0718","0.0587","","","0.1549","0.1613","","","","","","1.051","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001480","8.5425","0.0014","9.6978","0.0016","11.2219","0.0018","88.487","0.003","73.119","0.003","68.294","0.003","823.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","04086bb","N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase III]","","- C9 H16 F6 N2 O4 S2 -","- C9 H16 F6 N2 O4 S2 -","- C18 H32 F12 N4 O8 S4 -","2","1","","Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.","Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide","Chemistry of Materials","2006","18","4","934","938","10.1021/cm051936f","","","0.71073","MoKα","","0.1166","0.0864","","","0.2658","0.2931","","","","","","1.097","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001481","9.05294","0.00006","9.05294","","9.05294","","90","","90","","90","","741.94","0.005","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Co In0.05 Sb3 -","- Co In0.05 Sb3 -","- Co8 In0.4 Sb24 -","8","0.166667","","He, Tao; Chen, Jiazhong; Rosenfeld, H. David; Subramanian, M. A.","Thermoelectric Properties of Indium-Filled Skutterudites","Chemistry of Materials","2006","18","3","759","","10.1021/cm052055b","powder diffraction","x-ray","0.351164","","","","","","","","","0.05684","","1.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001482","8.6232","0.0004","9.2261","0.0004","28.4554","0.0013","90","","95.988","0.001","90","","2251.52","0.18","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11-(1-pyrenemethoxy)-undecanebromide","","- C28 H33 Br O -","- C28 H33 Br O -","- C112 H132 Br4 O4 -","4","1","","Ma, Dongling; Guan, Jingwen; Dénommée, Stéphane; Enright, Gary; Veres, Teodor; Simard, Benoit","Multifunctional Nano-Architecture for Biomedical Applications","Chemistry of Materials","2006","18","7","1920","","10.1021/cm052067x","","","0.71073","MoKα","","0.0678","0.0421","","","0.1013","0.1092","","","","","","0.968","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001483","18.859","0.009","6.915","0.003","11.256","0.006","90","","90.54","0.02","90","","1467.8","1.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H19.5 Al N2 O9.25 P2 -","- C6 H14 Al N2 O9.27 P2 -","- C24 H56 Al4 N8 O37.08 P8 -","4","0.5","","Serre, Christian; Groves, John A.; Lightfoot, Philip; Slawin, Alexandra M. Z.; Wright, Paul A.; Stock, Norbert; Bein, Thomas; Haouas, Mohamed; Taulelle, Francis; Férey, Gérard","Synthesis, Structure and Properties of Related MicroporousN,N‘-Piperazinebismethylenephosphonates of Aluminum and Titanium","Chemistry of Materials","2006","18","6","1451","","10.1021/cm052149l","","","1.54178","CuKα","","0.1651","0.1387","","","0.3233","0.3393","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001484","9.8645","0.0006","10.3255","0.0008","13.7712","0.0008","87.905","0.005","75.981","0.005","80.712","0.002","1343.05","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0722","0.0438","","","0.0921","0.1054","","","","","","1.082","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001485","9.9829","0.0005","10.4011","0.0005","13.7363","0.0008","88.374","0.002","75.559","0.002","80.95","0.002","1363.94","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0816","0.0472","","","0.1068","0.1272","","","","","","1.049","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001486","9.8769","0.0003","10.3545","0.0003","13.7442","0.0004","87.8389","0.0012","76.1174","0.0013","80.4897","0.0012","1345.81","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0525","0.0384","","","0.0959","0.1071","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001487","10.676","0.0005","11.3","0.0006","11.393","0.0009","101.256","0.002","96.755","0.002","97.342","0.005","1322.51","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.118","0.0489","","","0.1073","0.1571","","","","","","0.998","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001488","10.7248","0.0002","11.3782","0.0003","11.4166","0.0003","100.975","0.001","96.905","0.001","98.813","0.002","1335.41","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0705","0.0441","","","0.1088","0.1244","","","","","","1.063","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001489","10.673","0.0003","11.333","0.0003","11.401","0.0004","101.22","0.001","96.719","0.001","97.577","0.001","1326.35","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0878","0.0514","","","0.1308","0.153","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001490","10.719","0.0003","11.41","0.0003","11.433","0.0003","100.894","0.001","97.014","0.001","99.116","0.001","1338.98","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S12 Se4 -","- C38 H22 Ga I4 N6 S12 Se4 -","- C38 H22 Ga I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0684","0.0522","","","0.1448","0.1579","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001491","9.585","0.0019","3.991","0.0008","12.443","0.003","90","","90","","90","","475.99","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd Cl S2 Sb -","- Cd Cl S2 Sb -","- Cd4 Cl4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0246","0.0201","","","0.042","0.0431","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001492","12.938","0.003","3.931","0.0008","9.661","0.0019","90","","91.11","0.03","90","","491.26","0.18","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Br Cd S2 Sb -","- Br Cd S2 Sb -","- Br4 Cd4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0287","0.0254","","","0.0538","0.0551","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001493","9.541","0.002","3.97","0.0008","12.545","0.003","90","","90","","90","","475.18","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Cadimum Bismuth Sulfochloride","","","- Bi Cd Cl S2 -","- Bi Cd Cl S2 -","- Bi4 Cd4 Cl4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0263","0.0259","","","0.0603","0.0604","","","","","","1.113","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001494","12.977","0.003","4.012","0.0008","9.584","0.0019","90","","91.07","0.03","90","","498.89","0.18","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Br Cd S2 -","- Bi Br Cd S2 -","- Bi4 Br4 Cd4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.048","0.0416","","","0.0967","0.0989","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001495","10.025","0.002","4.119","0.0008","13.143","0.003","90","","90","","90","","542.7","0.2","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Br Cd Se2 -","- Bi Br Cd Se2 -","- Bi4 Br4 Cd4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0291","0.0258","","","0.0576","0.0588","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001496","13.659","0.003","4.192","0.0008","10.193","0.002","90","","90.88","0.03","90","","583.6","0.2","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Cd I Se2 -","- Bi Cd I Se2 -","- Bi4 Cd4 I4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.027","0.0251","","","0.0602","0.061","","","","","","1.125","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001497","8.7115","0.0009","14.345","0.0015","15.2657","0.0016","90","","90.105","0.002","90","","1907.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La7.13 S24 Sb8.87 -","- La7.134 S24 Sb8.866 -","- La14.268 S48 Sb17.732 -","2","0.5","","Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger","Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24","Chemistry of Materials","2006","18","4","1041","","10.1021/cm052254v","","","0.71073","MoKα","","0.0551","0.0432","","","0.0837","0.0888","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001498","8.6829","0.0004","14.3334","0.0007","15.2691","0.0008","90","","90.077","0.001","90","","1900.32","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La6.7 S24 Sb9.3 -","- La6.704 S24 Sb9.296 -","- La13.408 S48 Sb18.592 -","2","0.5","","Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger","Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24","Chemistry of Materials","2006","18","4","1041","","10.1021/cm052254v","","","0.71073","MoKα","","0.0337","0.0286","","","0.0631","0.0655","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001499","7.8762","0.0011","7.8762","0.0011","7.1237","0.0014","90","","90","","120","","382.71","0.11","291","2","291","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al4 H6 O18 P6 -","- Al4 H6 O18 P6 -","- Al4 H6 O18 P6 -","1","0.0833333","","Li, Niu; Ma, Yanfeng; Xiang, Shouhe; Guan, Naijia","Capturing an Aluminophosphite Intermediate in the New Route of Synthesizing Zeolite-like Aluminophosphates","Chemistry of Materials","2006","18","4","975","","10.1021/cm052327a","","","0.71073","MoKα","","0.0504","0.0444","","","0.1159","0.1207","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001500","10.608","0.002","11.462","0.002","9.1332","0.0018","90","","112.36","0.03","90","","1027","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ammonium tricyanomelaminate","Diammonium hydrogen tricyanomelaminate","","- C6 H9 N11 -","- C6 H9 N11 -","- C24 H36 N44 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0471","0.0295","","","0.068","0.0721","","","","","","0.914","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001501","7.6212","0.0015","13.336","0.003","18.566","0.004","90","","90","","90","","1887","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Guanidinium tricyanomelaminate hydrate","Triguanidinium tricyanomelaminate dihydrate","","- C9 H22 N18 O2 -","- C9 H22 N18 O2 -","- C36 H88 N72 O8 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0277","0.0253","","","0.0652","0.0666","","","","","","1.087","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001502","10.295","0.002","11.203","0.002","11.207","0.002","104.22","0.03","112.74","0.03","104.62","0.03","1064.8","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Melaminium tricyanomelaminate hydrate","Dimelaminium hydrogen tricyanomelaminate hydrate","","- C12 H19.8 N21 O2.4 -","- C12 H19.798 N21 O2.399 -","- C24 H39.596 N42 O4.798 -","2","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.1015","0.057","","","0.123","0.1458","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001503","18.0998","0.0012","5.703","0.0004","23.1988","0.0016","90","","104.633","0.001","90","","2317","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H K0.75 Na0.25 Np O6.5 S -","- H K0.75 Na0.25 Np O6.5 S -","- H16 K12 Na4 Np16 O104 S16 -","16","2","","Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.","Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework","Chemistry of Materials","2006","18","6","1643","","10.1021/cm0523687","","","0.71073","MoKα","","0.0405","0.0351","","","0.0717","0.0736","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001504","18.3638","0.0013","5.6424","0.0004","23.5512","0.0017","90","","103.366","0.002","90","","2374.2","0.3","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium neptunyl sulfate hydrate","sodium neptunyl sulfate dihydrate","","- H1.6 Na0.8 Np0.8 O5.6 S0.8 -","- H1.6 Na0.8 Np0.8 O5.6 S0.8 -","- H32 Na16 Np16 O112 S16 -","20","2.5","","Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.","Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework","Chemistry of Materials","2006","18","6","1643","","10.1021/cm0523687","","","0.71073","MoKα","","0.0623","0.0363","","","0.0596","0.0667","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001505","8.8932","0.0011","9.0338","0.0011","10.6253","0.0013","72.445","0.002","75.252","0.002","74.819","0.002","771.04","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 F2 In3 N4 O16 P4 -","- C20 H21 F2 In3 N4 O16 P4 -","- C20 H21 F2 In3 N4 O16 P4 -","1","0.5","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.0255","0.0238","","","0.062","0.0633","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001506","7.8843","0.0017","10.321","0.002","11.395","0.002","107.139","0.003","105.101","0.003","99.328","0.003","826.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H12 F2 In2 N2 O9 P2 -","- C10 H10 F2 In2 N2 O9 P2 -","- C20 H20 F4 In4 N4 O18 P4 -","2","1","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.0476","0.0409","","","0.0948","0.0973","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001507","7.899","0.003","10.405","0.004","11.387","0.005","108.01","0.03","104.52","0.03","99.36","0.02","831.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H13 F2 In2 N3 O9 P2 -","- C10 H11 F2 In2 N3 O9 P2 -","- C20 H22 F4 In4 N6 O18 P4 -","2","1","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.1094","0.0598","","","0.1222","0.1397","","","","","","0.907","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001508","12.4938","0.0014","12.4938","0.0014","3.9519","0.0002","90","","90","","90","","616.87","0.1","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba1.938 Bi0.375 Nb5 O15 -","- Ba1.9374 Bi0.3752 Nb5 O15 -","- Ba3.8748 Bi0.7504 Nb10 O30 -","2","0.25","","Muktha, B.; Simon, A.; Darriet, J.; Guru Row, T. N.","Crystal Chemistry of a New Solid Solution in the BaO−Bi2O3−Nb2O5System: Ba5x/2Bi(1-x)5/3Nb5O15","Chemistry of Materials","2006","18","5","1240","","10.1021/cm052422j","","","0.71069","MoKα","","0.0341","0.0341","","","0.084","0.084","","","","1.93","1.93","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001509","12.1819","0.0002","15.947","0.0003","11.0751","0.0002","90","","90.056","0.001","90","","2151.5","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H36 B20 -","- C7 H36 B20 -","- C28 H144 B80 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.0798","0.0707","","0.1464","0.1393","","","","1.131","1.133","1.133","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001510","10.906","0.002","13.048","0.002","10.811","0.002","90","","117.287","0.003","90","","1367.2","0.4","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 B10 -","- C7 H22 B10 -","- C28 H88 B40 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.0892","0.0763","","","0.2025","0.2171","","","","","","1.066","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001511","10.969","0.004","21.912","0.008","10.902","0.004","90","","90","","90","","2620.3","1.7","143","1","143","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H22 B10 -","- C6 H22 B10 -","- C48 H176 B80 -","8","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.16","0.129","","","0.2905","0.3198","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001512","16.0442","0.001","18.9546","0.0012","20.9652","0.0014","99.598","0.002","111.061","0.001","110.305","0.001","5261.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H154 O25 Si16 -","- C84 H154 O25 Si16 -","- C168 H308 O50 Si32 -","2","1","","Anderson, Stanley E.; Mitchell, Connie; Haddad, Timothy S.; Vij, Ashwani; Schwab, Joseph J.; Bowers, Michael T.","Structural Characterization of POSS Siloxane Dimer and Trimer","Chemistry of Materials","2006","18","6","1490","","10.1021/cm052589c","","","0.71073","MoKα","","0.0459","0.039","","","0.1059","0.1112","","","","","","1.032","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35",""
"4001513","12.2752","0.0013","8.253","0.0008","22.052","0.002","90","","90","","90","","2234","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-aminoethyl)-4-nitroaniline formic acid (salt)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C72 H104 N24 O32 -","8","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1016","0.0489","","","0.1027","0.1136","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001514","5.608","0.003","11.314","0.005","9.573","0.005","90","","101.784","0.008","90","","594.6","0.5","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline acetic acid (salt)","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C20 H30 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1355","0.0542","","","0.0813","0.0997","","","","","","0.985","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001515","10.3601","0.0008","12.1853","0.0009","10.5378","0.0008","90","","101.082","0.002","90","","1305.5","0.17","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(2-aminoethyl)-4-nitroaniline - propionic acid (salt)","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.0718","0.0506","","","0.1065","0.1108","","","","","","1.035","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001516","4.8677","0.0005","12.5586","0.0013","11.3875","0.0012","90","","99.521","0.002","90","","686.55","0.12","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline butyric acid (salt)","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1562","0.0596","","","0.1251","0.1519","","","","","","1.028","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001517","9.0906","","9.0906","","9.0906","","90","","90","","90","","751.238","","","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Pd2.352 Zn10.648 -","- Pd2.351 Zn10.649 -","- Pd9.404 Zn42.596 -","4","0.0833333","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.013","0.013","","","0.0268","0.0268","","","","1.33","1.33","1.33","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001518","12.929","","9.112","","33.32","","90","","90","","90","","3925.4","","","","293","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd16.68 Zn52.32 -","- Pd16.68 Zn52.32 -","- Pd66.72 Zn209.28 -","4","","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.0758","0.0288","","","0.0385","0.0442","","","","1.85","1.85","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001519","16.3528","0.0019","8.9386","0.001","48.989","0.006","90","","98.216","0.002","90","","7087.3","1.4","293","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H102 P4 Pt2 -","- C69 H102 P4 Pt2 -","- C276 H408 P16 Pt8 -","4","1","","Liu, Li; Wong, Wai-Yeung; Poon, Suk-Yue; Shi, Jian-Xin; Cheah, Kok-Wai; Lin, Zhenyang","Effect of Acetylenic Chain Length on the Tuning of Functional Properties in Fluorene-Bridged Polymetallaynes and Their Molecular Model Compounds","Chemistry of Materials","2006","18","5","1369","","10.1021/cm052655a","","","0.71073","MoKα","","0.1509","0.0708","","","0.1467","0.1817","","","","","","0.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001520","12.2213","0.0002","18.1079","0.0002","20.3613","0.0002","90","","102.263","0.003","90","","4403.18","0.11","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis((μ2-diethylphosphato-O,O')-di-t-butyl-aluminium)","","- C40 H56 Al2 O8 P2 -","- C40 H56 Al2 O8 P2 -","- C160 H224 Al8 O32 P8 -","4","1","","Florjańczyk, Zbigniew; Lasota, Anna; Wolak, Andrzej; Zachara, Janusz","Organically Modified Aluminum Phosphates: Synthesis and Characterization of Model Compounds Containing Diphenyl Phosphate Ligands","Chemistry of Materials","2006","18","7","1995","","10.1021/cm0526718","","","0.71073","MoKα","","0.06","0.0454","","","0.1038","0.1092","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4001521","15.1307","0.0003","8.423","0.0002","16.6322","0.0004","90","","100.42","0.001","90","","2084.75","0.08","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N3 O5.5 P Zn -","- C6 H11 N3 O5.5 P Zn -","- C48 H88 N24 O44 P8 Zn8 -","8","1","","Chen, Lan; Bu, Xianhui","Histidine-Controlled Two-Dimensional Assembly of Zinc Phosphite Four-Ring Units","Chemistry of Materials","2006","18","7","1857","","10.1021/cm052801c","","","0.71073","MoKα","","0.0413","0.0317","","","0.081","0.0851","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001522","23.7807","0.0015","23.7807","0.0015","13.4664","0.0012","90","","90","","120","","6595.3","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H17 Ga2 N3 O10 P2 -","- C4 H13 Ga2 N3 O10 P2 -","- C72 H234 Ga36 N54 O180 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0335","0.0272","","","0.0844","0.0874","","","","","","1.015","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001523","23.74","0.0016","23.74","0.0016","13.4851","0.0013","90","","90","","120","","6581.8","0.9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Co0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Co1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0465","0.0324","","","0.1039","0.1081","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001524","23.7422","0.0007","23.7422","0.0007","13.4888","0.0006","90","","90","","120","","6584.8","0.4","295","2","295","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C4 H13 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C72 H234 Co1.8 Cr1.8 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0491","0.0422","","","0.116","0.1194","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001525","23.6965","0.0013","23.6965","0.0013","13.5437","0.001","90","","90","","120","","6586.2","0.7","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Fe0.2 Ga1.8 N3 O9 P2 -","- C4 H12 Fe0.2 Ga1.8 N3 O9 P2 -","- C72 H216 Fe3.6 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.1072","0.0432","","","0.1119","0.1235","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001526","23.6635","0.0014","23.6635","0.0014","13.5686","0.0011","90","","90","","120","","6580","0.8","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.15 Ga1.85 Mn0.15 N3 O9 P2 -","- C4 H13 Ga1.85 Mn0.15 N3 O9 P2 -","- C72 H234 Ga33.3 Mn2.7 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0703","0.0429","","","0.1207","0.1289","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001527","23.6899","0.0011","23.6899","0.0011","13.5483","0.0009","90","","90","","120","","6584.8","0.6","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Ga1.8 N3 O9 P2 Zn0.2 -","- C4 H13 Ga1.8 N3 O9 P2 Zn0.2 -","- C72 H234 Ga32.4 N54 O162 P36 Zn3.6 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0628","0.0388","","","0.1112","0.118","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001528","23.716","0.003","23.716","0.003","13.447","0.002","90","","90","","120","","6550","1.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15 Cr0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Cr0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Cr1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0601","0.0397","","","0.1276","0.1356","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001529","12.415","0.011","12.62","0.02","14.55","0.01","86.51","","84.536","0.015","87.16","","2263","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H78 P6 S32 W6 -","- C60 H78 P6 S32 W6 -","- C60 H78 P6 S32 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.916","","","0.0482","0.0481","","","0.135","0.1352","","","","","","1.043","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001530","14.0512","0.001","15.1392","0.001","15.1699","0.001","61.6172","0.0013","84.3734","0.0014","84.1186","0.0016","2819.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H102 P6 S32 W6 -","- C84 H102 P6 S32 W6 -","- C84 H102 P6 S32 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0528","0.0362","","","0.0773","0.0932","","","","","","1.114","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35",""
"4001531","23.659","0.003","23.659","0.002","16.9604","0.0018","90","0.003","90","0.003","120","0.003","8221.7","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H102 P6 S32 W6 -","- C83.96 H96 P6 S32 W6 -","- C251.88 H288 P18 S96 W18 -","3","0.166667","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0588","0.0388","","","0.0879","0.0969","","","","","","1.12","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001532","16.8243","0.0013","17.4251","0.0013","18.9027","0.0014","106.185","0.002","101.5","0.002","112.613","0.002","4609.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H66 O10 P6 S56 W6 -","- C124 H66 O10 P6 S56 W6 -","- C124 H66 O10 P6 S56 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.1585","0.0777","","","0.1922","0.2399","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001533","15.8524","0.0003","10.4636","0.0002","15.8729","0.0003","90","","105.021","0.0009","90","","2542.93","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N5 Na O4 S2 -","- C22 H28 N5 Na O4 S2 -","- C88 H112 N20 Na4 O16 S8 -","4","1","","Lebel, Olivier; Perron, Marie-Ève; Maris, Thierry; Zalzal, Sylvia F.; Nanci, Antonio; Wuest, James D.","A New Class of Selective Low-Molecular-Weight Gelators Based on Salts of Diaminotriazinecarboxylic Acids","Chemistry of Materials","2006","18","16","3616","","10.1021/cm060056d","","","1.54178","CuKα","","0.0636","0.0401","","","0.0996","0.1089","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001534","11.2","0.003","11.38","0.003","14.449","0.004","80.357","0.005","82.319","0.004","61.405","0.004","1591.1","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 O2 P2 -","- C39 H32 O2 P2 -","- C78 H64 O4 P4 -","2","1","","Padmaperuma, Asanga B.; Sapochak, Linda S.; Burrows, Paul E.","New Charge Transporting Host Material for Short Wavelength Organic Electrophosphorescence: 2,7-Bis(diphenylphosphine oxide)-9,9-dimethylfluorene","Chemistry of Materials","2006","18","9","2389","","10.1021/cm0600677","","","0.71073","MoKα","","0.0586","0.0425","","","0.1105","0.1222","","","","","","1.01","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001535","10.9717","","7.5778","","5.4103","","90","","90","","90","","449.82","","150","","293","","","","","","","","","4","P n m 21","P 2bc -2bc","31","","","","- Bi0.597 Ca0.403 Mn O3 -","- Bi0.5965 Ca0.4035 Mn O3 -","- Bi4.772 Ca3.228 Mn8 O24 -","8","2","","Giot, M.; Beran, P.; Pérez, O.; Malo, S.; Hervieu, M.; Raveau, B.; Nevriva, M.; Knizek, K.; Roussel, P.","Bi1-xCaxMnO3(x= 0.4 and 0.45): X-ray Single-Crystal and Electron Microscopy Study","Chemistry of Materials","2006","18","14","3225","","10.1021/cm060222h","","","0.71069","MoKα","","0.098","0.0684","","","0.0746","0.0922","","","","4.8","4.8","4.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001536","21.408","0.0005","4.8379","0.0001","17.0953","0.0004","90","","110.196","0.001","90","","1661.7","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 S2 -","- C34 H54 S2 -","- C68 H108 S4 -","2","0.5","","Pan, Hualong; Li, Yuning; Wu, Yiliang; Liu, Ping; Ong, Beng S.; Zhu, Shiping; Xu, Gu","Synthesis and Thin-Film Transistor Performance of Poly(4,8-didodecylbenzo[1,2-b:4,5-b‘]dithiophene)","Chemistry of Materials","2006","18","14","3237","","10.1021/cm0602592","","","1.54178","CuKα","","0.0748","0.062","","","0.2028","0.2188","","","","","","1.056","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001537","10.219","0.0004","13.9566","0.0015","17.26","0.002","90","","90.193","0.005","90","","2461.7","0.4","293","","293","","","","","","","","synthesised by authors","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 Ga6 H5.1 O27.55 P6 -","- Cs2 Ga6 H2 O27.549 P6 -","- Cs8 Ga24 H8 O110.196 P24 -","4","1","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0911","0.0419","","","0.0396","0.0443","","","","1.33","1.33","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001538","10.1662","0.0004","13.9762","0.0012","16.931","0.002","90","","90","","90","","2405.6","0.4","293","","293","","","","","","","","synthesised by authors","5","P c a b","-P 2bc 2ac","61","","","","- Cs2 Ga6 H2 O26 P6 -","- Cs2 Ga6 H2 O26 P6 -","- Cs8 Ga24 H8 O104 P24 -","4","0.5","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0555","0.0272","","","0.0274","0.0312","","","","1.28","1.28","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001539","12.4604","0.0014","14.1435","0.0016","17.475","0.002","99.357","0.002","99.182","0.002","114.271","0.002","2680.9","0.5","173","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F10 Si -","- C30 H16 F10 Si -","- C120 H64 F40 Si4 -","4","2","","Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don","Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials","Chemistry of Materials","2006","18","14","3261","","10.1021/cm060346u","","","0.71073","MoKα","","0.0612","0.0364","","","0.081","0.0863","","","","","","0.852","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001540","7.513","0.003","7.585","0.003","28.128","0.01","92.498","0.005","92.18","0.006","116.885","0.005","1425.3","1","173","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H8 F18 S -","- C34 H8 F18 S -","- C68 H16 F36 S2 -","2","1","","Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don","Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials","Chemistry of Materials","2006","18","14","3261","","10.1021/cm060346u","","","0.71073","MoKα","","0.1448","0.0845","","","0.2048","0.2191","","","","","","1.093","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001541","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","","Murata, Hidenori; Delen, Zeynep; Lahti, Paul M.","Strong Ferromagnetic Exchange in 2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5- tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","Chemistry of Materials","2006","18","11","2625","","10.1021/cm060378h","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001542","11.692","0.004","18.023","0.007","11.772","0.005","90","","90.71","0.02","90","","2480.5","1.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H56 Cu4 O8 P4 Se8 -","- C24 H56 Cu4 O8 P4 Se8 -","- C48 H112 Cu8 O16 P8 Se16 -","2","1","","Hsu, Yung-Jung; Hung, Chiu-Ming; Lin, Yi-Feng; Liaw, Ben-Jie; Lobana, Tarlok S.; Lu, Shih-Yuan; Liu, C. W.","[Cu4{Se2P(OiPr)2}4]: A Novel Precursor Enabling Preparation of Nonstoichiometric Copper Selenide (Cu2-xSe) Nanowires","Chemistry of Materials","2006","18","14","3323","","10.1021/cm060478n","","","0.71073","MoKα","","0.0859","0.0712","","","0.1462","0.1534","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001543","6.2089","0.0007","8.9509","0.0011","23.295","0.003","90","","90","","90","","1294.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0496","0.048","","","0.1393","0.1412","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001544","5.5431","0.0011","7.4791","0.0014","16.19","0.003","82.779","0.003","88.9","0.004","71.49","0.003","631.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl N O2 -","- C13 H18 Cl N O2 -","- C26 H36 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0555","0.0529","","","0.1522","0.163","","","","","","1.121","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001545","5.541","0.0013","7.4502","0.0018","17.662","0.004","90.182","0.005","92.714","0.004","108.56","0.004","690.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cl N O2 -","- C14 H20 Cl N O2 -","- C28 H40 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0487","0.0418","","","0.1115","0.1278","","","","","","1.086","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001546","5.5021","0.0008","7.4745","0.0011","19.108","0.003","92.671","0.003","90.828","0.003","107.964","0.002","746.36","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Cl N O2 -","- C15 H22 Cl N O2 -","- C30 H44 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.1028","0.074","","","0.223","0.2883","","","","","","1.184","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001547","5.5328","0.0007","7.5138","0.0009","19.059","0.002","92.937","0.002","90.228","0.002","108.446","0.002","750.46","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C32 H50 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0513","0.0414","","","0.1011","0.1073","","","","","","1.023","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001548","14.342","0.002","5.776","0.0008","51.085","0.007","90","","90","","90","","4231.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Br N O2 -","- C20 H32 Br N O2 -","- C160 H256 Br8 N8 O16 -","8","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0881","0.0664","","","0.1693","0.1827","","","","","","1.168","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001549","26.525","0.004","14.2644","0.0019","5.7997","0.0008","90","","93.063","0.002","90","","2191.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Br N O2 -","- C21 H34 Br N O2 -","- C84 H136 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0669","0.0422","","","0.1056","0.1187","","","","","","1.006","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001550","28.972","0.004","14.2687","0.0017","5.78","0.0007","90","","95.027","0.002","90","","2380.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Br N O2 -","- C23 H38 Br N O2 -","- C92 H152 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0925","0.0474","","","0.1015","0.1167","","","","","","0.988","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001551","5.5628","0.0004","7.5055","0.0005","16.4604","0.0011","82.449","0.001","88.785","0.001","71.481","0.001","645.86","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0237","0.0235","","","0.0637","0.0639","","","","","","1.079","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001552","5.5611","0.001","7.4809","0.0013","17.889","0.003","88.908","0.003","87.831","0.003","71.593","0.003","705.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br N O2 -","- C14 H20 Br N O2 -","- C28 H40 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0323","0.029","","","0.072","0.0761","","","","","","1.069","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001553","5.5215","0.0005","7.5087","0.0006","19.083","0.0016","93.13","0.001","90.752","0.002","108.131","0.001","750.38","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C30 H44 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0265","0.0259","","","0.0747","0.0751","","","","","","1.069","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001554","5.5753","0.0011","7.7318","0.0015","20.485","0.004","87.193","0.003","88.939","0.003","72.223","0.003","839.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br N O2 -","- C16 H24 Br N O2 -","- C32 H48 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0668","0.0448","","","0.1139","0.1239","","","","","","0.974","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001555","24.134","0.007","14.298","0.004","5.8109","0.0017","90","","91.786","0.005","90","","2004.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.076","0.0438","","","0.1025","0.1183","","","","","","1.009","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001556","5.5484","0.0005","7.4632","0.0007","16.9022","0.0016","90.896","0.002","99.105","0.002","107.802","0.002","656.46","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0426","0.042","","","0.1136","0.114","","","","","","1.057","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001557","5.5108","0.0008","7.5698","0.0011","19.051","0.003","82.296","0.003","82.827","0.002","72.395","0.002","747.67","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C30 H44 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0316","0.0304","","","0.0847","0.0889","","","","","","1.134","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001558","12.7129","0.0012","19.784","0.003","22.611","0.002","103.268","0.006","97.491","0.004","102.145","0.01","5315","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48.5 H46.5 Cl1.5 F9 La N2 O10 S3 -","- C48.5 H46.5 Cl1.5 F9 La N2 O10 S3 -","- C194 H186 Cl6 F36 La4 N8 O40 S12 -","4","2","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.1071","0.0752","","","0.172","0.19","","","","","","0.937","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001559","15.1196","0.0011","18.5236","0.001","20.6386","0.0012","70.89","0.003","80.255","0.004","66.575","0.004","5006.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 F9 La N2 O10 -","- C46 H46 F9 La N2 O10 -","- C184 H184 F36 La4 N8 O40 -","4","2","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.0911","0.0627","","","0.1504","0.1684","","","","","","0.923","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001560","12.354","0.003","12.972","0.004","19.357","0.004","101.524","0.016","93.225","0.015","108.121","0.016","2865.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H53 Cl3 F9 N2 Nd O10 -","- C55 H53 Cl3 F9 N2 Nd O10 -","- C110 H106 Cl6 F18 N4 Nd2 O20 -","2","1","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.0932","0.0673","","","0.1601","0.1747","","","","","","0.966","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001561","7.4632","0.0015","11.523","0.002","13.944","0.003","90","","94.06","0.03","90","","1196.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","terbium dicyanamide dihydrate","terbium dicyanamide dihydrate","","- C6 H4 N9 O2 Tb -","- C6 H4 N9 O2 Tb -","- C24 H16 N36 O8 Tb4 -","4","1","","Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang","Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides","Chemistry of Materials","2006","18","24","5738","","10.1021/cm0607029","","","0.71073","MoKα","","0.0334","0.0193","","","0.0376","0.0419","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001562","7.478","0.0004","11.5429","0.0005","13.9756","0.0007","90","","93.998","0.004","90","","1203.41","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Europium Dicyanamide Dihydrate","Europium Dicyanamide Dihydrate","","- C6 H4 Eu N9 O2 -","- C6 H4 Eu N9 O2 -","- C24 H16 Eu4 N36 O8 -","4","1","","Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang","Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides","Chemistry of Materials","2006","18","24","5738","","10.1021/cm0607029","powder diffraction","x-ray","0.7093","MoKα1","","","","","","","","0.08029","","1.13","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001563","6.1661","0.0003","27.6363","0.0012","8.4503","0.0004","90","","95.712","0.001","90","","1432.85","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Br4 N3 Pb -","- C6 H13 Br4 N3 Pb -","- C24 H52 Br16 N12 Pb4 -","4","1","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel ⟨ 110⟩ -Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0688","0.0667","","","0.1882","0.1909","","","","","","1.039","","","","has coordinates","271475","2021-12-16","11:44:06",""
"4001564","20.0844","0.0019","7.9836","0.0008","13.0105","0.0012","90","","90","","90","","2086.2","0.3","466","2","466","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H13 Br2 N3 -","- C6 H13 Br2 N3 -","- C48 H104 Br16 N24 -","8","2","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel ⟨ 110⟩ -Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0399","0.0323","","","0.0724","0.074","","","","","","0.933","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001565","6.7435","0.0003","6.7555","0.0004","6.7608","0.0004","91.221","0.004","94.288","0.004","94.443","0.005","306.09","0.03","300","","300","","","","","","","","","3","P -1","-P 1","2","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 Se8 -","- Mg Mo6 Se8 -","- Mg Mo6 Se8 -","1","0.5","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Isnard, O.; Djurado, D.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 2. The Crystal Structure of Triclinic MgMo6Se8","Chemistry of Materials","2006","18","16","3705","","10.1021/cm060715m","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","0.8567","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001566","8.9807","0.0004","18.1461","0.0009","11.2254","0.0005","90","","101.851","0.001","90","","1790.35","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1038 cs Ph2-Bor-Br2Oxinat","","","- C21 H14 B Br2 N O -","- C21 H14 B Br2 N O -","- C84 H56 B4 Br8 N4 O4 -","4","1","","Kappaun, Stefan; Rentenberger, Stephan; Pogantsch, Alexander; Zojer, Egbert; Mereiter, Kurt; Trimmel, Gregor; Saf, Robert; Möller, Kai C.; Stelzer, Franz; Slugovc, Christian","Organoboron Quinolinolates with Extended Conjugated Chromophores: Synthesis, Structure, and Electronic and Electroluminescent Properties","Chemistry of Materials","2006","18","15","3539","","10.1021/cm060720q","","","0.71073","MoKα","","0.0371","0.0251","","","0.0588","0.0642","","","","","","1.006","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001567","13.898","0.003","16.381","0.003","9.835","0.002","90","","110.45","0.03","90","","2098","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs10 Fe14 K8 O80 P20 -","- Cs9.296 Fe14 K8.704 O80 P20 -","- Cs9.296 Fe14 K8.704 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0538","0.0518","","","0.1368","0.1382","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001568","13.899","0.003","16.397","0.003","9.83","0.002","90","","110.4","0.03","90","","2099.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.9 Fe14 K0 Li6.1 O80 P20 -","- Cs11.894 Fe14 Li6.106 O80 P20 -","- Cs11.894 Fe14 Li6.106 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0802","0.064","","","0.1201","0.1263","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001569","13.744","0.003","16.502","0.003","9.807","0.002","90","","109.97","0.03","90","","2090.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs0.75 Fe1.08 K0 Na0.64 O6.15 P1.54 -","- Cs0.748154 Fe1.07692 Na0.636462 O6.15385 P1.53846 -","- Cs9.726 Fe14 Na8.274 O80 P20 -","13","3.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1331","0.1156","","","0.2121","0.22","","","","","","1.216","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001570","13.762","0.003","16.508","0.003","9.84","0.002","90","","110.29","0.03","90","","2096.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.26 Fe14 K6.74 O80 P20 -","- Cs11.256 Fe14 K6.744 O80 P20 -","- Cs11.256 Fe14 K6.744 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1163","0.0911","","","0.1407","0.1496","","","","","","1.234","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001571","13.901","0.003","16.392","0.003","9.827","0.002","90","","110.49","0.03","90","","2097.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs8.5 Fe14 K5.71 O80 P20 Rb3.79 -","- Cs8.508 Fe14 K5.712 O80 P20 Rb3.78 -","- Cs8.508 Fe14 K5.712 O80 P20 Rb3.78 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0982","0.0702","","","0.1115","0.1199","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001572","13.795","0.003","16.463","0.003","9.848","0.002","90","","110.1","0.03","90","","2100.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.35 Fe14 K6.65 O80 P20 -","- Cs11.348 Fe14 K6.652 O80 P20 -","- Cs11.348 Fe14 K6.652 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1025","0.0778","","","0.1142","0.1224","","","","","","1.194","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001573","11.9343","0.0007","21.222","0.0013","11.9882","0.0007","90","","117.077","0.001","90","","2703.5","0.3","571","2","571","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.43 Te12 -","- Ba3 Cu13.429 Te12 -","- Ba12 Cu53.716 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0596","0.0506","","","0.1111","0.114","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001574","11.9091","0.0018","21.174","0.004","11.9826","0.0018","90","","117.071","0.004","90","","2690.5","0.8","180","2","180","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.65 Te12 -","- Ba3 Cu13.6475 Te12 -","- Ba12 Cu54.59 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0591","0.0451","","","0.0877","0.0919","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001575","5.7668","0.0016","7.551","0.002","12.884","0.004","85.131","0.007","88.367","0.007","89.927","0.008","558.8","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C24 H12 S8 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.775","MoKα","","0.0972","0.081","","","0.2328","0.2434","","","","","","1.125","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001576","7.4265","0.0011","5.7172","0.0008","14.84","0.002","90","","102.336","0.002","90","","615.54","0.15","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H8 S4 -","- C13.58 H7.58 S3.58 -","- C27.16 H15.16 S7.16 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0937","0.0577","","","0.1468","0.17","","","","","","0.93","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001577","23.66","0.005","5.9832","0.0012","15.709","0.003","90","","90","","90","","2223.8","0.8","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C96 H48 S32 -","8","2","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0596","0.0341","","","0.0755","0.0839","","","","","","1.012","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001578","5.7083","0.0015","8.616","0.002","13.272","0.004","88.226","0.006","77.637","0.006","82.068","0.006","631.5","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C28 H16 S8 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0773","0.0567","","","0.1436","0.1541","","","","","","1.025","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001579","6.1731","0.0005","6.1731","0.0005","6.1731","0.0005","90","","90","","90","","235.24","0.03","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag1.33 Sb1.33 Sn1.33 Te4 -","- Ag1.32 Sb1.32 Sn1.33 Te4 -","- Ag1.32 Sb1.32 Sn1.33 Te4 -","1","0.0208333","","Androulakis, John; Pcionek, Robert; Quarez, Eric; Do, Jun-Huang; Kong, Huijun; Palchik, Oleg; Uher, C.; D'Angelo, Jonathan James; Short, Jarrod; Hogan, Tim; Kanatzidis, Mercouri G.","Coexistence of Large Thermopower and Degenerate Doping in the Nanostructured Material Ag0.85SnSb1.15Te3","Chemistry of Materials","2006","18","20","4719","","10.1021/cm061151p","","","0.71073","MoKα","","0.0273","0.0135","","","0.0277","0.0382","","","","","","0.896","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001580","4.365","0.0005","4.365","0.0005","6.1731","0.0005","90","","90","","90","","117.62","0.02","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.67 Sb0.67 Sn0.67 Te2 -","- Ag0.66 Sb0.67 Sn0.67 Te2 -","- Ag0.66 Sb0.67 Sn0.67 Te2 -","1","0.0625","","Androulakis, John; Pcionek, Robert; Quarez, Eric; Do, Jun-Huang; Kong, Huijun; Palchik, Oleg; Uher, C.; D'Angelo, Jonathan James; Short, Jarrod; Hogan, Tim; Kanatzidis, Mercouri G.","Coexistence of Large Thermopower and Degenerate Doping in the Nanostructured Material Ag0.85SnSb1.15Te3","Chemistry of Materials","2006","18","20","4719","","10.1021/cm061151p","","","0.71073","MoKα","","0.0209","0.0136","","","0.0303","0.037","","","","","","0.883","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001581","29.272","0.0019","11.7396","0.0007","11.2259","0.0007","90","","110.548","0.003","90","","3612.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","beta-phase BPBN","biphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C160 H208 N16 O16 -","8","1","","Nishimaki, Hirokazu; Mashiyama, Shinichiro; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki","Bistable Polymorphs Showing Diamagnetic and Paramagnetic States of an Organic Crystalline Biradical Biphenyl-3,5-diyl Bis(tert-butylnitroxide)","Chemistry of Materials","2006","18","16","3602","","10.1021/cm061222k","","","0.71073","MoKα","","0.0438","0.0358","","","0.098","0.1001","","","","","","1.054","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001582","9.2145","0.0002","9.2145","0.0002","6.1938","0.0002","90","","90","","120","","455.44","0.02","293","2","293","2","","","","","","","synthesis as described","3","P 63/m c m","-P 6c 2","193","","","","- Sb5 Sc U3 -","- Sb5 Sc U3 -","- Sb10 Sc2 U6 -","2","0.0833333","","Mar, Arthur; Tougait, Olivier; Potel, Michel; Noël, Henri; Lopes, Elsa B.","Anisotropic Transport and Magnetic Properties of Ternary Uranium Antimonides U3ScSb5and U3TiSb5","Chemistry of Materials","2006","18","18","4533","","10.1021/cm061281y","","x-ray","0.71069","MoKα","","0.0329","0.0288","","","0.0677","0.0704","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001583","7.912","0.0011","9.215","0.0015","14.86","0.002","86.59","0.006","78.66","0.01","86.46","0.011","1059","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0904","0.0666","","","0.1221","0.1326","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001584","7.9371","0.0011","9.2656","0.0015","14.922","0.002","86.736","0.006","78.692","0.01","86.227","0.011","1072.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0942","0.0595","","","0.1005","0.1245","","","","","","1.001","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35",""
"4001585","7.986","0.0012","9.341","0.0017","14.956","0.003","87","0.006","79.037","0.012","85.846","0.011","1091.6","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0974","0.0614","","","0.1054","0.1321","","","","","","1.004","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35",""
"4001586","7.9487","0.0005","9.8685","0.0009","14.6035","0.0013","91.109","0.003","98.639","0.005","95.885","0.005","1125.85","0.16","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0901","0.07","","","0.1318","0.1392","","","","","","1.004","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001587","7.9769","0.0008","9.8759","0.0012","14.674","0.0018","91.1","0.004","98.773","0.007","95.976","0.007","1135.5","0.2","400","2","400","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.1167","0.0637","","","0.1277","0.1443","","","","","","1.004","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001588","7.8118","0.0005","10.217","0.0006","14.3138","0.0009","90.998","0.005","95.67","0.005","97.677","0.005","1126.11","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Br Fe N7 S2 -","- C19 H22 Br Fe N7 S2 -","- C38 H44 Br2 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0426","0.0363","","","0.095","0.0985","","","","","","0.953","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001589","7.028","0.0014","11.757","0.002","13.503","0.003","90","","90","","90","","1115.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H6 Na3 O12 Si3 Tb -","- H6 Na3 O12 Si3 Tb -","- H24 Na12 O48 Si12 Tb4 -","4","1","","Wang, Guangmei; Li, Jiyang; Yu, Jihong; Chen, Peng; Pan, Qinhe; Song, Hongwei; Xu, Ruren","Na3TbSi3O9·3H2O: A New Luminescent Microporous Terbium(III) Silicate Containing HelicalSechserSilicate Chains and 9-Ring Channels","Chemistry of Materials","2006","18","24","5637","","10.1021/cm061578w","","","0.71073","MoKα","","0.0172","0.0168","","","0.0419","0.042","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001590","9.074","0.003","9.23","0.003","9.309","0.003","76.446","0.005","87.343","0.005","89.388","0.005","757.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 Al3 F N2 O12 P3 -","- C5 H9 Al3 F N2 O12 P3 -","- C10 H18 Al6 F2 N4 O24 P6 -","2","1","","Parnham, Emily R.; Morris, Russell E.","1-Alkyl-3-methyl Imidazolium Bromide Ionic Liquids in the Ionothermal Synthesis of Aluminium Phosphate Molecular Sieves","Chemistry of Materials","2006","18","20","4882","","10.1021/cm0615929","","","0.6933","synchrotron","","0.0555","0.0403","","","0.1117","0.1203","","","","","","1.041","","","","has coordinates","189835","2020-10-21","18:00:00",""
"4001591","11.2403","0.0003","11.9611","0.0004","15.8334","0.0007","93.619","0.001","93.373","0.002","117.863","0.002","1868.76","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F6 N2 P S -","- C18 H19 F6 N2 P S -","- C72 H76 F24 N8 P4 S4 -","4","2","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0801","0.0523","","","0.1265","0.1426","","","","","","1.022","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001592","11.1697","0.0002","11.6675","0.0003","13.0687","0.0003","91.495","0.001","104.711","0.001","99.428","0.001","1620.97","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 B N2 S -","- C42 H39 B N2 S -","- C84 H78 B2 N4 S2 -","2","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0586","0.0467","","","0.1194","0.1276","","","","","","1.026","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001593","13.2042","0.0006","11.2894","0.0005","15.976","0.0008","90","","94.29","0.002","90","","2374.83","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N2 O4.5 S2 -","- C25 H29 N2 O4.5 S2 -","- C100 H116 N8 O18 S8 -","4","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0876","0.0555","","","0.1091","0.1208","","","","","","1.047","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001594","7.63","0.012","10.007","0.015","16.8","0.02","104.12","0.13","91.96","0.11","108.19","0.09","1173","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O3 S2 -","- C27 H28 N2 O3 S2 -","- C54 H56 N4 O6 S4 -","2","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.2783","0.1514","","","0.2528","0.3016","","","","","","1.084","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001595","5.810528","0.000007","5.810528","","23.88459","0.00005","90","","90","","120","","698.36","0.0017","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ba5 Mg0.125 O15 Ta3.95 -","- Ba4.99999 Mg0.125 O15 Ta3.95 -","- Ba9.99998 Mg0.25 O30 Ta7.9 -","2","0.166667","","Mallinson, P.; Claridge, J. B.; Iddles, D.; Price, T.; Ibberson, R. M.; Allix, M.; Rosseinsky, M. J.","New 10-Layer Hexagonal Perovskites: Relationship between Cation and Vacancy Ordering and Microwave Dielectric Loss","Chemistry of Materials","2006","18","26","6227","","10.1021/cm0616477","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001596","9.4592714","0.0000006","9.4592714","0.0000006","10.5588446","0.0000005","90","","90","","120","","818.206","0.00008","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 S8 -","- Mg0.99996 Mo6 S8 -","- Mg2.99988 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","1.59","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001597","9.7630596","0.000001","9.7630596","0.000001","10.3689375","0.000001","90","","90","","120","","855.927","0.00015","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg2 Mo6 S8 -","- Mg1.99992 Mo6 S8 -","- Mg5.99976 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","6.6854","0.6703","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001598","10.69557","0.00022","11.32418","0.00022","8.49009","0.00015","90","","122.384","0.0011","90","","868.38","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ca Mn3 O6 -","- Ca Mn3 O6 -","- Ca8 Mn24 O48 -","8","2","","Hadermann, Joke; Abakumov, Artem M.; Gillie, Lisa J.; Martin, Christine; Hervieu, Maryvonne","Coupled Cation and Charge Ordering in the CaMn3O6Tunnel Structure","Chemistry of Materials","2006","18","23","5530","","10.1021/cm0618998","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001599","15.547","0.0009","22.3388","0.0013","15.6068","0.0009","90","","90.668","0.001","90","","5419.9","0.5","125","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p-hexanoylcalixarene-EHMC","","","- C61 H76 O9.5 -","- C61 H76 O9.5 -","- C244 H304 O38 -","4","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Daroszewska, Malgosia; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","Solid Lipid Nanoparticles ofp-Hexanoyl Calix[4]arene as a Controlling Agent in the Photochemistry of a Sunscreen Blocker","Chemistry of Materials","2006","18","25","5817","","10.1021/cm061993o","","","0.7107","MoKα","","0.1451","0.0944","","","0.2717","0.3268","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001600","15.399","0.002","9.5815","0.0015","32.617","0.005","90","","103.14","0.015","90","","4686.5","1.2","108","2","108","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H38 Cl N5 W -","- C17 H38 Cl N5 W -","- C136 H304 Cl8 N40 W8 -","8","1","","Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.","New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films","Chemistry of Materials","2006","18","25","6075","","10.1021/cm061999d","","","0.71073","MoKα","","0.1456","0.0528","","","0.0685","0.0863","","","","","","0.848","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001601","8.8327","0.0006","19.0411","0.0013","15.2788","0.001","90","","101.43","0.006","90","","2518.7","0.3","105","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H41 Cl2 N5 W -","- C18 H41 Cl2 N5 W -","- C72 H164 Cl8 N20 W4 -","4","1","","Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.","New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films","Chemistry of Materials","2006","18","25","6075","","10.1021/cm061999d","","","0.71073","MoKα","","0.0301","0.0263","","","0.0411","0.0415","","","","","","1.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001726","15.374","","15.772","","13.715","","90","","90","","90","","3325.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ag10 Te4 Br3","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","0.5","","Lange, S.; Nilges, T.","Ag10 Te4 Br3: a new silver(I) (poly)chalcogenide halide solid electrolytes","Chemistry of Materials (1,1989-)","2006","18","","2538","2544","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002016","9.1967","0.0001","23.6789","0.0005","10.7839","0.0002","90","","92.109","0.001","90","","2346.79","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-diphenyl-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C25 H26 N2 O3 Sn -","- C25 H26 N2 O3 Sn -","- C100 H104 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0514","0.0349","","","0.09","0.1022","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002017","10.4084","0.0001","12.4262","0.0001","21.8325","0.0002","90","","90","","90","","2823.75","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0299","0.0259","","","0.064","0.0669","","","","","","1.092","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002018","9.9176","0.0001","13.6235","0.0002","20.3957","0.0004","90","","90","","90","","2755.71","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-(1-methylsufanyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 S Sn -","- C28 H32 N2 O3 S Sn -","- C112 H128 N8 O12 S4 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0464","0.0325","","","0.0655","0.0711","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002019","10.3454","0.0001","12.6901","0.0002","21.4191","0.0004","90","","90","","90","","2811.99","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((2-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0502","0.0315","","","0.062","0.0684","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002020","10.6965","0.0002","12.8584","0.0002","20.0495","0.0003","90","","90","","90","","2757.61","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)ethyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 Sn -","- C28 H32 N2 O3 Sn -","- C112 H128 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0538","0.0361","","","0.0739","0.082","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002361","11.8816","","11.8816","","7.0714","","90","","90","","120","","864.542","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba6 La2 Fe4 O15","","- Ba6 Fe4 La2 O15 -","- Ba5.9999 Fe4 La2.0001 O15 -","- Ba11.9998 Fe8 La4.0002 O30 -","2","0.166667","","Abe, K.; Doi, Y.; Hinatsu, Y.; Ohoyama, K.","Magnetic properties of the spin tetramer compound Ba6 La2 Fe4 O15","Chemistry of Materials (1,1989-)","2006","18","","785","789","","","","","","","","","","","","","","","","","","","","","","has coordinates","150286","2020-10-21","18:00:00",""
"4002362","11.8426","","11.8426","","7.09","","90","","90","","120","","861.134","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba6 La2 Ga4 O15","","- Ba6 Ga4 La2 O15 -","- Ba5.9999 Ga4 La2.0001 O15 -","- Ba11.9998 Ga8 La4.0002 O30 -","2","0.166667","","Abe, K.; Doi, Y.; Hinatsu, Y.; Ohoyama, K.","Magnetic properties of the spin tetramer compound Ba6 La2 Fe4 O15","Chemistry of Materials (1,1989-)","2006","18","","785","789","","","","","","","","","","","","","","","","","","","","","","has coordinates","150287","2020-10-21","18:00:00",""
"4002368","10.31317","","12.69752","","21.886","","89.6565","","90","","90","","2865.96","","","","","","","","","","","","","3","P 2/m 1 1","-P 2x","10","","Al (P O4)","","- Al0.5 O2 P0.5 -","- Al0.5 O2 P0.5 -","- Al12 O48 P12 -","24","6","","Afeworki, M.; Dorset, D.L.; Kennedy, G.J.; Strohmaier, K.G.","Synthesis and characterization of a new microporous material. 1. Structure of aluminophosphate EMM-3","Chemistry of Materials (1,1989-)","2006","18","","1697","1704","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002369","5.37546","","5.37546","","13.39334","","90","","90","","120","","335.159","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bi Al O3","","- Al Bi O3 -","- Al Bi O3 -","- Al6 Bi6 O18 -","6","0.333333","","Belik, A.A.; Wuernisha, T.; Nagai, T.; Mori, K.; Maie, M.; Kamiyama, T.; Matsui, Y.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3","Chemistry of Materials (1,1989-)","2006","18","","133","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002370","5.4162","","5.1335","","9.9369","","90","","90","","90","","276.286","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- Bi Ga O3 -","- Bi Ga O3 -","- Bi4 Ga4 O12 -","4","0.5","","Belik, A.A.; Matsui, Y.; Kamiyama, T.; Wuernisha, T.; Mori, K.; Maie, M.; Nagai, T.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3","Chemistry of Materials (1,1989-)","2006","18","","133","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002371","5.95463","","5.60182","","8.38631","","90","","90","","90","","279.74","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Bi In O3 -","- Bi In O3 -","- Bi4 In4 O12 -","4","1","","Belik, A.A.; Takayama-Muromachi, E.; Lazoryak, B.I.; Stefanovich, S.Yu.","Bi In O3: a polar oxide with Gd Fe O3-type perovskite structure","Chemistry of Materials (1,1989-)","2006","18","","1964","1968","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002372","5.95462","","8.3864","","5.60185","","90","","90","","90","","279.744","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi In O3 -","- Bi In O3 -","- Bi4 In4 O12 -","4","0.5","","Belik, A.A.; Lazoryak, B.I.; Stefanovich, S.Yu.; Takayama-Muromachi, E.","Bi In O3: a polar oxide with Gd Fe O3-type perovskite structure","Chemistry of Materials (1,1989-)","2006","18","","1964","1968","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002376","5.9764","","5.9795","","8.5988","","89.86","","90.041","","90.013","","307.285","","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","Ba2 Nd Mo O6","","- Ba2 Mo Nd O6 -","- Ba2 Mo Nd O6 -","- Ba4 Mo2 Nd2 O12 -","2","","","Cussen, E.J.; Lynham, D.R.; Rogers, J.","Magnetic order arising from structural distortion: structure and magnetic properties of Ba2 Ln Mo O6","Chemistry of Materials (1,1989-)","2006","18","","2855","2866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002377","5.98954","","5.98954","","8.5003","","90","","90","","90","","304.945","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ba2 Sm Mo O6","","- Ba2 Mo O6 Sm -","- Ba2 Mo O6 Sm -","- Ba4 Mo2 O12 Sm2 -","2","0.0625","","Cussen, E.J.; Lynham, D.R.; Rogers, J.","Magnetic order arising from structural distortion: structure and magnetic properties of Ba2 Ln Mo O6","Chemistry of Materials (1,1989-)","2006","18","","2855","2866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002378","5.2706","","6.5206","","5.0706","","90","","90","","90","","174.264","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mn Si N2","","- Mn N2 Si -","- Mn N2 Si -","- Mn4 N8 Si4 -","4","1","","Esmaeilzadeh, S.; Halenius, E.; Valldor, M.","Crystal growth, magnetic, and optical properties of the ternary nitride Mn Si N2","Chemistry of Materials (1,1989-)","2006","18","","2713","2718","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002379","9.4812","","9.4812","","6.9139","","90","","90","","120","","538.245","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Eu8.18 Na1.08) (Si O4)6 (O H)1.62","","- Eu8.18 H1.62 Na1.08 O25.62 Si6 -","- Eu8.18 Na1.08 O25.62 Si6 -","- Eu8.18 Na1.08 O25.62 Si6 -","1","0.0833333","","Ferdov, S.; Sa Ferreira, R.A.; Lin Zhi","Hydrothermal synthesis, structural investigation, photoluminescence features, and emission quantum yield of Eu and Eu-Gd silicates with apatite-type structure","Chemistry of Materials (1,1989-)","2006","18","","5958","5964","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002380","9.494","","9.494","","6.8975","","90","","90","","120","","538.42","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","(Eu2.46 Gd2.46 Na1.2) (Eu1.5 Gd1.5) (Si O4)6 (O H)1.86","","- Eu3.96 Gd3.96 H1.86 Na1.2 O25.86 Si6 -","- Eu3.96 Gd3.96 Na1.2 O25.86 Si6 -","- Eu3.96 Gd3.96 Na1.2 O25.86 Si6 -","1","0.0833333","","Ferdov, S.; Sa Ferreira, R.A.; Lin Zhi","Hydrothermal synthesis, structural investigation, photoluminescence features, and emission quantum yield of Eu and Eu-Gd silicates with apatite-type structure","Chemistry of Materials (1,1989-)","2006","18","","5958","5964","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002383","5.085","","8.774","","9.468","","90","","90","","90","","422.422","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Fe2 O3 -","- Fe2 O3 -","- Fe16 O24 -","8","2","","Gich, M.; Frontera, C.; Ritter, C.; Roig, A.; Nogues, J.; Taboada, E.; Molins, E.; Macedo, W.A.A.; Ardisson, J.D.; Hardy, V.; Rechenberg, H.R.; Sort, J.; Skumryev, V.","High- and low-temperature crystal and magnetic structure of epsilon-Fe2 O3 and their correlation to its magnetic properties","Chemistry of Materials (1,1989-)","2007","18","","3889","3897","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002384","11.002","","7.588","","5.425","","90","","90","","90","","452.896","","","","","","","","","","","","","4","P n m 21","P 2bc -2bc","31","","","","- Bi0.53 Ca0.47 Mn O3 -","- Bi0.53 Ca0.47 Mn O3 -","- Bi4.24 Ca3.76 Mn8 O24 -","8","2","","Giot, M.; Hervieu, M.; Perez, O.; Malo, S.; Beran, P.; Roussel, P.; Raveau, B.; Nevriva, M.; Knizek, K.","Bi(1-x) Ca(x) Mn O3 (x = 0.4 and 0.45): X-ray single-crystal and electron microscopy study","Chemistry of Materials (1,1989-)","2007","18","","3225","3236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002385","5.484","","7.669","","5.403","","90","","90","","90","","227.233","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi0.58 Ca0.42 Mn O3 -","- Bi0.58 Ca0.42 Mn O3 -","- Bi2.32 Ca1.68 Mn4 O12 -","4","0.5","","Giot, M.; Beran, P.; Perez, O.; Malo, S.; Nevriva, M.; Knizek, K.; Raveau, B.; Hervieu, M.; Roussel, P.","Bi(1-x) Ca(x) Mn O3 (x = 0.4 and 0.45): X-ray single-crystal and electron microscopy study","Chemistry of Materials (1,1989-)","2007","18","","3225","3236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002386","7.56754","","18.1187","","26.0606","","90","","90","","90","","3573.27","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Na0.93 Si5 O10 (H2 O)3.13","","- H6.26 Na0.93 O13.13 Si5 -","- Na0.925 O13.125 Si5 -","- Na11.1 O157.5 Si60 -","12","1.5","","Gualtieri, A.F.; van Beek, W.; Galli, E.; di Renzo, F.; Ferrari, S.","Rietveld structure refinement of zeolite ECR-1","Chemistry of Materials (1,1989-)","2006","18","","76","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","150938","2020-10-21","18:00:00",""
"4002387","7.56244","","18.1924","","26.0953","","90","","90","","90","","3590.16","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(N H4)2.5 O36.69 Si15","","- H10 N2.5 O36.69 Si15 -","- H10 N2.5 O36.69 Si15 -","- H40 N10 O146.76 Si60 -","4","0.5","","Gualtieri, A.F.; Ferrari, S.; van Beek, W.; di Renzo, F.; Galli, E.","Rietveld structure refinement of zeolite ECR-1","Chemistry of Materials (1,1989-)","2006","18","","76","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","150939","2020-10-21","18:00:00",""
"4002388","18.314","","18.314","","7.6854","","90","","90","","120","","2232.36","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na7.26 (Ga8.9 Si27.1 O72)","","- Ga8.9 Na7.26 O72 Si27.1 -","- Ga8.8992 Na7.26 O72 Si27.1008 -","- Ga8.8992 Na7.26 O72 Si27.1008 -","1","0.0416667","","Han, B.; Chin, C.-H.; Warrender, S.J.; Camblor, M.A.; Lightfoot, P.; Wright, P.A.; Hong, S.B.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150955","2020-10-21","18:00:00",""
"4002389","7.57214","","18.0739","","25.8438","","90","","90","","90","","3536.93","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Na12.4 (Ga12.4 Si47.6 O120)","","- Ga12.4 Na12.4 O120 Si47.6 -","- Ga12.402 Na12.3456 O120 Si47.598 -","- Ga12.402 Na12.3456 O120 Si47.598 -","1","0.125","","Han, B.; Chin, C.-H.; Lightfoot, P.; Warrender, S.J.; Hong, S.B.; Camblor, M.A.; Wright, P.A.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150956","2020-10-21","18:00:00",""
"4002390","18.0176","","20.2835","","7.49243","","90","","90","","90","","2738.18","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Na8.34 (Ga6.998 Si41 O96)","","- Ga6.998 Na8.34 O96 Si41 -","- Ga6.9984 Na8.36 O96 Si41.0016 -","- Ga6.9984 Na8.36 O96 Si41.0016 -","1","0.0625","","Han, B.; Chin, C.-H.; Warrender, S.J.; Camblor, M.A.; Wright, P.A.; Lightfoot, P.; Hong, S.B.","Structural chemical zoning in the boundary phase zeolite TNU-7 (EON)","Chemistry of Materials (1,1989-)","2006","18","","3023","3033","","","","","","","","","","","","","","","","","","","","","","has coordinates","150957","2020-10-21","18:00:00",""
"4002391","10.0003","","10.0003","","10.0003","","90","","90","","90","","1000.09","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cu3 (Co (C N)6)2","","- C12 Co2 Cu3 N12 -","- C12 Co2 Cu3 N12 -","- C12 Co2 Cu3 N12 -","1","0.00520833","","Hartman, M.R.; Peterson, C.K.; Liu Yun","Neutron diffraction and neutron vibrational spectroscopy studies of hydrogen adsorption in the Prussian blue analogue Cu3 [Co (C N)6]2","Chemistry of Materials (1,1989-)","2006","18","","3221","3224","","","","","","","","","","","","","","","","","","","","","","has coordinates","150974","2020-10-21","18:00:00",""
"4002392","5.216","","5.803","","7.2816","","90","","90","","90","","220.403","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Yb Mn O3","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn4 O12 Yb4 -","4","0.5","","Huang, Y.H.; Karppinen, M.; Fjellvag, H.; Hauback, B.C.; Yamauchi, H.; Goodenough, J.B.","Crystal and magnetic structure of the orthorhombic perovskite Yb Mn O3","Chemistry of Materials (1,1989-)","2006","18","","2130","2134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002393","10.66591","","10.66591","","10.66591","","90","","90","","90","","1213.37","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ba8 (Cu4.602 Ge1.194) Ge39.641","","- Ba8 Cu4.602 Ge40.835 -","- Ba8 Cu4.602 Ge40.8348 -","- Ba8 Cu4.602 Ge40.8348 -","1","0.0208333","","Johnson, S.; Bentien, A.; Madsen, G.K.H.; Iversen, B.B.","Crystal structure, band structure, and physical properties of Ba8 Cu(6-x) Ge(40+x) (0 <= x <= 0.7)","Chemistry of Materials (1,1989-)","2006","18","","4633","4642","","","","","","","","","","","","","","","","","","","","","","has coordinates","151084","2020-10-21","18:00:00",""
"4002394","10.67579","","10.67579","","10.67579","","90","","90","","90","","1216.75","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Cu6 Ge40 -","- Ba8 Cu6 Ge40 -","- Ba8 Cu6 Ge40 -","1","0.0208333","","Johnson, S.; Bentien, A.; Madsen, G.K.H.; Iversen, B.B.","Crystal structure, band structure, and physical properties of Ba8 Cu(6-x) Ge(40+x) (0 <= x <= 0.7)","Chemistry of Materials (1,1989-)","2006","18","","4633","4642","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002395","7.8711","","31.9057","","7.8762","","90","","90.08","","90","","1977.97","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","La5.84 Mg4 Ta2 W2 O24","","- La5.84 Mg4 O24 Ta2 W2 -","- La5.84 Mg4 O24 Ta2 W2 -","- La23.36 Mg16 O96 Ta8 W8 -","4","0.5","","Khalyavin, D.D.; Lopes, A.B.; Mantas, P.Q.; Senos, A.M.R.","Crystal structure of La6 Mg4 Ta2 W2 O24 oxide: A representative of a novel A(3n) B'(2n) B''(2n) O(12n) homologous series with n = 2","Chemistry of Materials (1,1989-)","2007","18","","3843","3849","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002396","7.7322","","7.7322","","15.528","","90","","90","","90","","928.371","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr0.90 Bi0.10 Co O2.635","","- Bi0.1 Co O2.635 Sr0.9 -","- Bi0.1 Co O2.635 Sr0.9 -","- Bi1.6 Co16 O42.16 Sr14.4 -","16","0.5","","Knee, C.S.; Lindberg, F.; Khan, N.; Svensson, G.; Svedlindh, P.; Eriksson, S.G.; Boerjesson, L.; Rundloef, H.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002397","7.78412","","7.78412","","15.5886","","90","","90","","90","","944.553","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr0.70 Bi0.30 Co O2.68","","- Bi0.3 Co O2.68 Sr0.7 -","- Bi0.3 Co O2.68 Sr0.7 -","- Bi4.8 Co16 O42.88 Sr11.2 -","16","0.5","","Knee, C.S.; Lindberg, F.; Boerjesson, L.; Eriksson, S.G.; Svensson, G.; Khan, N.; Rundloef, H.; Svedlindh, P.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002398","7.7978","","7.7978","","15.618","","90","","90","","90","","949.663","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr0.60 Bi0.40 Co O2.64","","- Bi0.4 Co O2.64 Sr0.6 -","- Bi0.4 Co O2.64 Sr0.6 -","- Bi6.4 Co16 O42.24 Sr9.6 -","16","0.5","","Knee, C.S.; Lindberg, F.; Boerjesson, L.; Svensson, G.; Svedlindh, P.; Khan, N.; Rundloef, H.; Eriksson, S.G.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002399","3.86216","","3.86216","","3.86216","","90","","90","","90","","57.609","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr0.88 Bi0.12 Co O2.724","","- Bi0.12 Co O2.724 Sr0.88 -","- Bi0.12 Co O2.724 Sr0.88 -","- Bi0.12 Co O2.724 Sr0.88 -","1","0.0208333","","Knee, C.S.; Lindberg, F.; Boerjesson, L.; Khan, N.; Svensson, G.; Rundloef, H.; Svedlindh, P.; Eriksson, S.G.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002400","3.8534","","3.8534","","3.8534","","90","","90","","90","","57.218","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr0.855 Bi0.145 Co O2.736","","- Bi0.145 Co O2.736 Sr0.855 -","- Bi0.145 Co O2.736 Sr0.855 -","- Bi0.145 Co O2.736 Sr0.855 -","1","0.0208333","","Knee, C.S.; Eriksson, S.G.; Khan, N.; Svensson, G.; Lindberg, F.; Svedlindh, P.; Boerjesson, L.; Rundloef, H.","Influence of oxygen defects on the structure and magnetic properties of Sr(1-x)Bi(x) Co O(3-y) (0.1 <= x <= 0.2) supercell perovskites","Chemistry of Materials (1,1989-)","2006","18","","1354","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002403","9.0312","","9.0312","","7.0254","","90","","90","","120","","496.241","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Ca5 Sb3 -","- Ca5 Sb3 -","- Ca10 Sb6 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002404","8.917","","8.917","","7.302","","90","","90","","120","","502.817","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Sr5 As3 H","","- As3 H Sr5 -","- As3 H Sr5 -","- As6 H2 Sr10 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002405","9.1043","","9.1043","","6.3451","","90","","90","","120","","455.473","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Sm5 Sb3 H","","- H Sb3 Sm5 -","- H Sb3 Sm5 -","- H2 Sb6 Sm10 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002406","9.4183","","9.4183","","7.2124","","90","","90","","120","","554.058","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Eu5 Sb3 -","- Eu5 Sb3 -","- Eu10 Sb6 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002407","9.5551","","9.5551","","7.3256","","90","","90","","120","","579.221","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Eu5 Bi3","","- Bi3 Eu5 -","- Bi3 Eu5 -","- Bi6 Eu10 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","151253","2020-10-21","18:00:00",""
"4002408","9.0366","","9.0366","","6.9044","","90","","90","","120","","488.277","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Yb5 Sb3","","- Sb3 Yb5 -","- Sb3 Yb5 -","- Sb6 Yb10 -","2","0.0833333","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen in polar intermetallics. Binary pnictides of divalent metals with Mn5 Si3-type structures and their isotypic ternary hydride solutions","Chemistry of Materials (1,1989-)","2006","18","","4782","4792","","","","","","","","","","","","","","","","","","","","","","has coordinates","151254","2020-10-21","18:00:00",""
"4002411","3.7927","","3.7927","","13.2003","","90","","90","","90","","189.881","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.5 Sr0.5) (Mn0.5 Cu0.5) O4","","- Cu0.5 La1.5 Mn0.5 O4 Sr0.5 -","- Cu0.5 La1.5 Mn0.5 O4 Sr0.5 -","- Cu La3 Mn O8 Sr -","2","0.0625","","McCabe, E.E.; Greaves, C.","Synthesis and structural and magnetic characterization of mixed manganese-copper n = 1 Ruddlesden-Popper phases","Chemistry of Materials (1,1989-)","2006","18","","5774","5781","","","","","","","","","","","","","","","","","","","","","","has coordinates","151336","2020-10-21","18:00:00",""
"4002412","3.8154","","3.8154","","12.8262","","90","","90","","90","","186.715","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La Sr) (Mn0.5 Cu0.5) O4","","- Cu0.5 La Mn0.5 O4 Sr -","- Cu0.5 La Mn0.5 O4 Sr -","- Cu La2 Mn O8 Sr2 -","2","0.0625","","McCabe, E.E.; Greaves, C.","Synthesis and structural and magnetic characterization of mixed manganese-copper n = 1 Ruddlesden-Popper phases","Chemistry of Materials (1,1989-)","2006","18","","5774","5781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002413","3.79161","","3.79161","","12.716","","90","","90","","90","","182.809","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Pr Sr) (Mn0.5 Cu0.5) O4","","- Cu0.5 Mn0.5 O4 Pr Sr -","- Cu0.5 Mn0.5 O4 Pr Sr -","- Cu Mn O8 Pr2 Sr2 -","2","0.0625","","McCabe, E.E.; Greaves, C.","Synthesis and structural and magnetic characterization of mixed manganese-copper n = 1 Ruddlesden-Popper phases","Chemistry of Materials (1,1989-)","2006","18","","5774","5781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002414","3.78285","","3.78285","","12.6574","","90","","90","","90","","181.127","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Nd Sr) (Mn0.5 Cu0.5) O4","","- Cu0.5 Mn0.5 Nd O4 Sr -","- Cu0.5 Mn0.5 Nd O4 Sr -","- Cu Mn Nd2 O8 Sr2 -","2","0.0625","","McCabe, E.E.; Greaves, C.","Synthesis and structural and magnetic characterization of mixed manganese-copper n = 1 Ruddlesden-Popper phases","Chemistry of Materials (1,1989-)","2006","18","","5774","5781","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002416","3.8244","","3.8244","","26.736","","90","","90","","90","","391.042","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.3 Ni0.85 La2 Ti3 O10","","- La2 Li0.3 Ni0.85 O10 Ti3 -","- La2 Ni0.85 O10 Ti3 -","- La4 Ni1.7 O20 Ti6 -","2","0.0625","","Neiner, D.; Spinu, L.; Golub, V.; Wiley, J.B.","Ferromagnetism in topochemically pepared layered perovskite Li0.3 Ni0.85 La2 Ti3 O10","Chemistry of Materials (1,1989-)","2006","18","","518","524","","","","","","","","","","","","","","","","","","","","","","has coordinates","151403","2020-10-21","18:00:00",""
"4002417","16.41","","16.41","","11.9154","","90","","90","","120","","2778.79","","","","","","","","","","","","","3","P 63","P 6c","173","","Mo6 S0.063 I9","","- I9 Mo6 S0.063 -","- I9 Mo6 S0.0625 -","- I54 Mo36 S0.375 -","6","1","","Paglia, G.; Bozin, E.S.; Vengust, D.; Mihailovic, D.; Billinge, S.J.L.","Accurate structure determination of Mo6 S(y) I(z) nanowires from atomic pair distribution function (PDF) analysis","Chemistry of Materials (1,1989-)","2006","18","","100","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","151450","2020-10-21","18:00:00",""
"4002418","3.4009","","2.7895","","7.0762","","90","","90","","90","","67.131","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Al2 O3 -","- Al2 O3 -","- Al4 O6 -","2","2","","Paglia, G.; Bozin, E.S.; Billinge, S.J.L.","Fine-scale nanostructure in gamma - Al2 O3","Chemistry of Materials (1,1989-)","2007","18","","3242","3248","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002419","5.286","","29.5334","","5.4027","","90","","90","","90","","843.435","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Ca2 Mn Al O5.5","","- Al Ca2 Mn O5.5 -","- Al Ca2 Mn O5.5 -","- Al8 Ca16 Mn8 O44 -","8","0.5","","Palmer, H.M.; Snedden, A.; Wright, A.J.; Greaves, C.","Crystal structure and magnetic properties of Ca2 Mn Al O5.5 an n=3 brownmillerite phase","Chemistry of Materials (1,1989-)","2006","18","","1130","1133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002420","7.255","","8.356","","7.934","","90","","91.68","","90","","480.774","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Gd (P O3)4","","- Gd K O12 P4 -","- Gd K O12 P4 -","- Gd2 K2 O24 P8 -","2","1","","Parreu, I.; Carvajal, J.J.; Diaz, F.; Solans, X.; Aguilo, M.","Crystal structure and optical characterization of pure and Nd-substituted type III K Gd (P O3)4","Chemistry of Materials (1,1989-)","2006","18","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002421","7.286","","8.442","","8.034","","90","","92.17","","90","","493.804","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Nd (P O3)4","","- K Nd O12 P4 -","- K Nd O12 P4 -","- K2 Nd2 O24 P8 -","2","1","","Parreu, I.; Aguilo, M.; Solans, X.; Diaz, F.; Carvajal, J.J.","Crystal structure and optical characterization of pure and Nd-substituted type III K Gd (P O3)4","Chemistry of Materials (1,1989-)","2006","18","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002422","5.5212","","7.808","","5.5464","","90","","90","","90","","239.103","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La0.8 Sr0.2 Fe0.8 Cr0.2 O3","","- Cr0.2 Fe0.8 La0.8 O3 Sr0.2 -","- Cr0.2 Fe0.8 La0.8 O3 Sr0.2 -","- Cr0.8 Fe3.2 La3.2 O12 Sr0.8 -","4","0.5","","Ramos, T.; Carvalho, M.D.; Cruz, M.M.; Ferreira, L.P.; Godinho, M.","Structural and magnetic characterization of the series La(1-x) Sr(x) Fe0.8 Cr0.2 O(3-delta) (x = 0.2, 0.4, 0.6, and 0.8)","Chemistry of Materials (1,1989-)","2007","18","","3860","3865","","","","","","","","","","","","","","","","","","","","","","has coordinates","151514","2020-10-21","18:00:00",""
"4002423","5.52","","5.52","","13.416","","90","","90","","120","","354.023","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.6 Sr0.4 Fe0.8 Cr0.2 O3","","- Cr0.2 Fe0.8 La0.6 O3 Sr0.4 -","- Cr0.2 Fe0.8 La0.6 O3 Sr0.4 -","- Cr1.2 Fe4.8 La3.6 O18 Sr2.4 -","6","0.166667","","Ramos, T.; Carvalho, M.D.; Ferreira, L.P.; Godinho, M.; Cruz, M.M.","Structural and magnetic characterization of the series La(1-x) Sr(x) Fe0.8 Cr0.2 O(3-delta) (x = 0.2, 0.4, 0.6, and 0.8)","Chemistry of Materials (1,1989-)","2007","18","","3860","3865","","","","","","","","","","","","","","","","","","","","","","has coordinates","151515","2020-10-21","18:00:00",""
"4002424","5.4973","","5.4973","","13.4088","","90","","90","","120","","350.929","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.4 Sr0.6 Fe0.8 Cr0.2 O3","","- Cr0.2 Fe0.8 La0.4 O3 Sr0.6 -","- Cr0.2 Fe0.8 La0.4 O3 Sr0.6 -","- Cr1.2 Fe4.8 La2.4 O18 Sr3.6 -","6","0.166667","","Ramos, T.; Ferreira, L.P.; Carvalho, M.D.; Cruz, M.M.; Godinho, M.","Structural and magnetic characterization of the series La(1-x) Sr(x) Fe0.8 Cr0.2 O(3-delta) (x = 0.2, 0.4, 0.6, and 0.8)","Chemistry of Materials (1,1989-)","2007","18","","3860","3865","","","","","","","","","","","","","","","","","","","","","","has coordinates","151516","2020-10-21","18:00:00",""
"4002425","5.5057","","5.5057","","13.4796","","90","","90","","120","","353.861","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La0.2 Sr0.8 Fe0.8 Cr0.2 O3","","- Cr0.2 Fe0.8 La0.2 O3 Sr0.8 -","- Cr0.2 Fe0.8 La0.2 O3 Sr0.8 -","- Cr1.2 Fe4.8 La1.2 O18 Sr4.8 -","6","0.166667","","Ramos, T.; Carvalho, M.D.; Ferreira, L.P.; Cruz, M.M.; Godinho, M.","Structural and magnetic characterization of the series La(1-x) Sr(x) Fe0.8 Cr0.2 O(3-delta) (x = 0.2, 0.4, 0.6, and 0.8)","Chemistry of Materials (1,1989-)","2007","18","","3860","3865","","","","","","","","","","","","","","","","","","","","","","has coordinates","151517","2020-10-21","18:00:00",""
"4002426","5.48027","","5.48027","","7.75591","","90","","90","","90","","232.936","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Li0.3 La0.567 Ti O3","","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","- La2.268 Li1.2 O12 Ti4 -","4","0.125","","Sommariva, M.; Catti, M.","Neutron diffraction study of quenched Li0.3 La0.567 Ti O3 lithium ion conducting perovskite","Chemistry of Materials (1,1989-)","2006","18","","2411","2417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002427","3.89644","","3.89644","","3.89748","","90","","90","","90","","59.172","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Li0.3 La0.567 Ti O3","","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","1","0.0625","","Sommariva, M.; Catti, M.","Neutron diffraction study of quenched Li0.3 La0.567 Ti O3 lithium ion conducting perovskite","Chemistry of Materials (1,1989-)","2006","18","","2411","2417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002428","3.8219","","3.8219","","4.62803","","90","","90","","90","","67.601","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","(Bi2 Zn Ti O6).5","","- Bi O3 Ti0.5 Zn0.5 -","- Bi O3 Ti0.5 Zn0.5 -","- Bi O3 Ti0.5 Zn0.5 -","1","0.125","","Suchomel, M.R.; Fogg, A.M.; Claridge, J.B.; Niu Hongjun; Allix, M.; Rosseinsky, M.J.","Bi2 Zn Ti O3: A lead-free closed-shell polar perovskite with a calculated ionic polarization of 150 mueC cm-2","Chemistry of Materials (1,1989-)","2006","18","","4987","4989","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002430","12.741","","10.2211","","6.2239","","90","","90","","90","","810.52","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","K Al P O4 (O H)","","- Al H K O5 P -","- Al K O5 P -","- Al8 K8 O40 P8 -","8","1","","Vaughan, D.E.W.; Yennawar, H.P.; Perrotta, J.","Synthesis and structure of an aluminophosphate built from 3-rings","Chemistry of Materials (1,1989-)","2007","18","","3611","3615","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002431","12.959","","10.12","","13.121","","95.696","","86.305","","88.417","","1707.7","","","","","","","","","","","","","2","P -1","-P 1","2","","Si O2","","- O2 Si -","- O2 Si -","- O32 Si16 -","16","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002432","17.39","","17.39","","13.036","","90","","90","","120","","3414.08","","","","","","","","","","","","","2","P 62","P 62","171","","Si O2","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002433","17.813","","17.675","","17.834","","90","","90","","90","","5614.94","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002434","13.5","","13.5","","5.4321","","95.679","","84.335","","91.626","","980.157","","","","","","","","","","","","","2","P -1","-P 1","2","","Si O2","","- O2 Si -","- O2 Si -","- O32 Si16 -","16","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002435","15.8","","15.8","","9.96","","90","","90","","90","","2486.41","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","2","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002436","18.36","","18.36","","5.147","","90","","90","","90","","1735","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","Si O2","","- O2.25 Si -","- O2.25 Si -","- O72 Si32 -","32","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002437","11.6","","11.6","","5.2","","90","","90","","90","","699.712","","","","","","","","","","","","","2","P 21 21 2","P 2 2ab","18","","Si O2","","- O2 Si -","- O2 Si -","- O32 Si16 -","16","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002438","13.68","","13.68","","10.49","","90","","90","","90","","1963.12","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","2","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002439","14.17","","12.73","","10.32","","90","","90","","90","","1861.56","","","","","","","","","","","","","2","P 2 2 2","P 2 2","16","","Si O2","","- O2 Si -","- O2 Si -","- O64 Si32 -","32","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002440","20.57","","9.739","","20.46","","90","","90","","90","","4098.78","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Si O2","","- O2 Si -","- O2 Si -","- O128 Si64 -","64","8","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002441","6.119","","6.132","","15.167","","90","","107.86","","90","","541.667","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","(Eu Ca) Ca (Cu2 O6)","","- Ca2 Cu2 Eu O6 -","- Ca2 Cu2 Eu O6 -","- Ca8 Cu8 Eu4 O24 -","4","0.5","","Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J.","Structure and magnetic properties of Eu2 Ca Cu2 O6","Chemistry of Materials (1,1989-)","2006","18","","4585","4591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002442","6.084","","6.148","","15.34","","90","","108.262","","90","","544.885","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Eu2 Ca (Cu2 O6)","","- Ca Cu2 Eu2 O6 -","- Ca Cu2 Eu2 O6 -","- Ca4 Cu8 Eu8 O24 -","4","0.5","","Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J.","Structure and magnetic properties of Eu2 Ca Cu2 O6","Chemistry of Materials (1,1989-)","2006","18","","4585","4591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002443","2.86","","2.86","","14.227","","90","","90","","120","","100.78","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li Mn0.333 Ni0.333 O2 -","- Co0.33333 Li Mn0.33333 Ni0.334 O2 -","- Co0.99999 Li3 Mn0.99999 Ni1.002 O6 -","3","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002444","2.8313","","2.8313","","14.31","","90","","90","","120","","99.344","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.84 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.84 Mn0.333 Ni0.333 O2 -","- Co0.33333 Li0.83 Mn0.33333 Ni0.334 O2 -","- Co0.99999 Li2.49 Mn0.99999 Ni1.002 O6 -","3","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151959","2020-10-21","18:00:00",""
"4002445","2.822","","2.822","","14.463","","90","","90","","120","","99.748","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.63 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.63 Mn0.333 Ni0.333 O2 -","- Co0.33333 Li0.63 Mn0.33333 Ni0.333 O2 -","- Co0.99999 Li1.89 Mn0.99999 Ni0.999 O6 -","3","0.0833333","","Yin, S.-C.; Swainson, I.; Rho, Y.-H.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151960","2020-10-21","18:00:00",""
"4002446","2.8173","","2.8173","","14.534","","90","","90","","120","","99.904","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.48 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.48 Mn0.333 Ni0.333 O2 -","- Co0.3333 Li0.48 Mn0.33333 Ni0.333 O2 -","- Co0.9999 Li1.44 Mn0.99999 Ni0.999 O6 -","3","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151961","2020-10-21","18:00:00",""
"4002447","2.8269","","2.8269","","4.4894","","90","","90","","120","","31.07","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Li0.04 Co0.333 Ni0.333 Mn0.333 O2","","- Co0.333 Li0.04 Mn0.333 Ni0.333 O2 -","- Co0.3333 Mn0.33333 Ni0.333 O2 -","- Co0.3333 Mn0.33333 Ni0.333 O2 -","1","0.0833333","","Yin, S.-C.; Rho, Y.-H.; Swainson, I.; Nazar, L.F.","X-ray/neutron diffraction and electrochemical studies of lithium de/re-intercalation in Li(1-x) Co(1/3) Ni(1/3) Mn(1/3) O2 (x = 0 - 1)","Chemistry of Materials (1,1989-)","2006","18","","1901","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","151962","2020-10-21","18:00:00",""
"4002448","9.4868","","4.9676","","11.261","","90","","92.262","","90","","530.279","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(Li (H2 O) Ni (N2 H3 C O2)3) (H2 O)0.5","","- C3 H12 Li N6 Ni O7.5 -","- C3 H12 Li N6 Ni O7.5 -","- C6 H24 Li2 N12 Ni2 O15 -","2","1","","Tey, S.L.; Reddy, M.V.; Ding, J.; Chowdary, B.V.R.; Rao, G.V.S.; Yi, J.; Vittal, J.J.","Synthesis, Structure, and Magnetic Properties of Precursors to LiMO2 Battery Materials","Chemistry of Materials (1,1989-)","2006","18","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002449","9.5324","","5.0019","","11.3136","","90","","92.337","","90","","538.985","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(Li (H2 O) Co (N2 H3 C O2)3) (H2 O)0.5","","- C3 H12 Co Li N6 O7.5 -","- C3 H12 Co Li N6 O7.5 -","- C6 H24 Co2 Li2 N12 O15 -","2","1","","Tey, S.L.; Reddy, M.V.; Rao, G.V.S.; Yi, J.; Vittal, J.J.; Chowdary, B.V.R.; Ding, J.","Synthesis, Structure, and Magnetic Properties of as Single Precursors to LiMO2 Battery Materials","Chemistry of Materials (1,1989-)","2006","18","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4031645","5.962","","5.962","","5.962","","90","","90","","90","","211.922","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Na Sb Se2 -","- Na Sb Se2 -","- Na2 Sb2 Se4 -","2","0.0104167","","Bazakutsa, V.A.; Gnidash, N.I.; Lazarev, V.B.; Berul', S.I.; Salov, A.V.; Rogacheva, E.I.; Sukhorukova, L.N.; Vasil'eva, M.P.","Ternary (alkali-metal antimony) chalcogenides M Sb X2","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1973","18","","1722","1725","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031654","5.304","","5.304","","5.304","","90","","90","","90","","149.214","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- La -","- La -","- La4 -","4","0.0208333","","Farr, J.D.; Giorgi, A.L.; Bowman, M.G.; Money, R.K.","Crystal structure of actinium metal and actinium hydride","Journal of Inorganic and Nuclear Chemistry","1961","18","","42","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031806","9.643","","9.643","","8.88","","90","","90","","90","","825.729","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Hg (C N)2","","- C2 Hg N2 -","- C2 Hg N2 -","- C16 Hg8 N16 -","8","0.5","","Seccombe, R.C.; Kennard, C.H.L.","The stereochemistry of organomercury compounds II. A redetermination of the structure of mercury(II) cyanide by neutron diffraction","Journal of Organometallic Chemistry","1969","18","","243","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4063211","16.8228","0.0012","16.2206","0.0011","19.6787","0.0015","90","","107.566","0.007","90","","5119.4","0.7","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 Li4 N4 Si4 -","- C48 H76 Li4 N4 Si4 -","- C192 H304 Li16 N16 Si16 -","4","0.5","","Arjan W. Kleij; Henk Kleijn; Johann T. B. H. Jastrzebski; Wilberth J. J. Smeets; Anthony L. Spek; Gerard van Koten","Dendritic Carbosilanes Containing Silicon-Bonded 1-[C6H2(CH2NMe2)2-3,5-Li-4] or 1-[C6H3(CH2NMe2)-4-Li-3] Mono- and Bis(amino)aryllithium End Groups: Structure of {[CH2SiMe2C6H3(CH2NMe2)-4-Li-3]2}2","Organometallics","1999","18","","268","276","10.1021/om980627e","","","0.71073","MoKα","","0.1953","0.0754","","","0.0887","0.1121","","","","","","0.892","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063216","46.3269","0.0006","17.0101","0.0003","20.4152","0.0001","90","","112.334","0.001","90","","14880.9","0.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pt(dippe)(neopentyl)(SH)","","","- C35 H68 O P2 Pt S -","- C35 H68 O P2 Pt S -","- C560 H1088 O16 P32 Pt16 S16 -","16","2","","Michael S. Morton; Rene J. Lachicotte; David A. Vicic; William D. Jones","Insertion of Elemental Sulfur and SO2 into the Metal-Hydride and Metal-Carbon Bonds of Platinum Compounds","Organometallics","1999","18","","227","234","10.1021/om980772s","","","0.71073","MoKα","","0.0466","0.0332","","0.0739","0.0694","","","","1.037","1.081","1.081","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063217","10.7275","0.0002","22.1317","0.0004","15.3769","0.0002","90","","102.33","0.001","90","","3566.54","0.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pt(dippe)(Ph)(SH)","","","- C35 H60 O P2 Pt S -","- C35 H54 O P2 Pt S -","- C140 H216 O4 P8 Pt4 S4 -","4","1","","Michael S. Morton; Rene J. Lachicotte; David A. Vicic; William D. Jones","Insertion of Elemental Sulfur and SO2 into the Metal-Hydride and Metal-Carbon Bonds of Platinum Compounds","Organometallics","1999","18","","227","234","10.1021/om980772s","","","0.71073","MoKα","","0.0765","0.0546","","0.0878","0.0821","","","","1.178","1.23","1.23","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063218","18.4637","0.0002","10.6432","0.0001","17.2377","0.0001","90","","90","","90","","3387.43","0.05","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","Pt(dippe)(SO2Me)(Me)","","","- C29 H56 Cl2 O2 P2 Pt S -","- C29 H56 Cl2 O2 P2 Pt S -","- C116 H224 Cl8 O8 P8 Pt4 S4 -","4","1","","Michael S. Morton; Rene J. Lachicotte; David A. Vicic; William D. Jones","Insertion of Elemental Sulfur and SO2 into the Metal-Hydride and Metal-Carbon Bonds of Platinum Compounds","Organometallics","1999","18","","227","234","10.1021/om980772s","","","0.71073","MoKα","","0.0886","0.0607","","0.0924","0.0845","","","","1.086","1.137","1.137","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063220","12.9054","0.0012","17.315","0.002","32.573","0.003","90","","101.215","0.006","90","","7139.6","1.2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78.25 H66.5 Cl0.5 Ir2 O3 P6 Pt -","- C78.25 H66.5 Cl0.5 Ir2 O3 P6 Pt -","- C313 H266 Cl2 Ir8 O12 P24 Pt4 -","4","1","","Brian T. Sterenberg; Hilary A. Jenkins; Richard J. Puddephatt","Complexes with Platinum-Iridium Bonds: Stepwise Formation of a PtIr2 Cluster Complex","Organometallics","1999","18","","219","226","10.1021/om980665y","","","0.71073","MoKα","","0.2179","0.0692","","0.2144","0.133","","","","0.935","1.134","1.134","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063221","20.1924","0.0003","44.8906","0.0014","23.3886","0.0008","90","","90","","90","","21200.6","1","294","2","294","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C53 H44 F6 Ir O3.5 P5 Pt -","- C53 H44 F6 Ir O3.5 P5 Pt -","- C848 H704 F96 Ir16 O56 P80 Pt16 -","16","1","","Brian T. Sterenberg; Hilary A. Jenkins; Richard J. Puddephatt","Complexes with Platinum-Iridium Bonds: Stepwise Formation of a PtIr2 Cluster Complex","Organometallics","1999","18","","219","226","10.1021/om980665y","","","0.71073","MoKα","","0.0949","0.0414","","0.1328","0.0798","","","","1.011","1.218","1.218","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063222","13.1864","0.0003","13.5273","0.0006","17.0829","0.0006","76.184","0.002","77.205","0.002","67.111","0.002","2697.7","0.2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H46 Cl2 Ir2 O5 P4 Pt -","- C56 H46 Cl2 Ir2 O5 P4 Pt -","- C112 H92 Cl4 Ir4 O10 P8 Pt2 -","2","1","","Brian T. Sterenberg; Hilary A. Jenkins; Richard J. Puddephatt","Complexes with Platinum-Iridium Bonds: Stepwise Formation of a PtIr2 Cluster Complex","Organometallics","1999","18","","219","226","10.1021/om980665y","","","0.71073","MoKα","","0.0641","0.0335","","0.0763","0.0616","","","","0.998","0.997","0.997","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063228","10.8636","0.0003","14.1074","0.0004","16.6979","0.0004","90","","100.142","0.001","90","","2519.09","0.12","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp*2Ir2(SC3H2Me2)","","","- C25 H38 Ir2 S -","- C25 H38 Ir2 S -","- C100 H152 Ir8 S4 -","4","1","","David A. Vicic; William D. Jones","Activation of Sulfur- and Nitrogen-Containing Heterocycles by a Dinuclear Iridium Complex","Organometallics","1999","18","","134","138","10.1021/om9808007","","","0.71073","MoKα","","0.0541","0.0448","","0.1163","0.1119","","","","1.081","1.128","1.128","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063229","16.4804","0.0003","15.3201","0.0003","9.8855","0.0001","90","","98.69","","90","","2467.23","0.07","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cp*2Ir2H3(C4H3NMe)","","","- C25 H39 Ir2 N -","- C25 H36 Ir2 N -","- C100 H144 Ir8 N4 -","4","1","","David A. Vicic; William D. Jones","Activation of Sulfur- and Nitrogen-Containing Heterocycles by a Dinuclear Iridium Complex","Organometallics","1999","18","","134","138","10.1021/om9808007","","","0.71073","MoKα","","0.0501","0.041","","0.0985","0.0939","","","","0.974","1.007","1.007","","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063230","8.4912","0.0005","14.1404","0.0008","10.301","0.0006","90","","104.93","0.001","90","","1195.08","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cp*2Ir2H(C4H3NMe)","","","- C25 H37 Ir2 N -","- C25 H37 Ir2 N -","- C50 H74 Ir4 N2 -","2","1","","David A. Vicic; William D. Jones","Activation of Sulfur- and Nitrogen-Containing Heterocycles by a Dinuclear Iridium Complex","Organometallics","1999","18","","134","138","10.1021/om9808007","","","0.71073","MoKα","","0.0456","0.0398","","0.092","0.0898","","","","1.011","1.096","1.096","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4077729","12.567","0.003","17.637","0.006","17.016","0.004","90","0.02","97.88","0.02","90","0.02","3735.9","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 F15 N2 Pd -","- C34 H37 F15 N2 Pd -","- C136 H148 F60 N8 Pd4 -","4","1","","Ruiz, José; Rodríguez, Venancio; López, Gregorio; Casabó, Jaume; Molins, Elies; Miravitlles, Carles","Reactivity of [{M(C6F5)2(μ-OH)}2]2-(M = Pd or Pt) toward Aromatic Amines and Malononitrile","Organometallics","1999","18","7","1177","","10.1021/om980508z","","","0.71069","MoKα","","0.1934","0.0642","","0.2425","0.1751","","","","1.048","1.234","1.234","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077730","10.652","0.004","22.162","0.007","30.109","0.01","74.74","0.03","80.27","0.03","89.91","0.03","6752","4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H74 F20 N6 Pd2 -","- C62 H74 F20 N6 Pd2 -","- C248 H296 F80 N24 Pd8 -","4","2","","Ruiz, José; Rodríguez, Venancio; López, Gregorio; Casabó, Jaume; Molins, Elies; Miravitlles, Carles","Reactivity of [{M(C6F5)2(μ-OH)}2]2-(M = Pd or Pt) toward Aromatic Amines and Malononitrile","Organometallics","1999","18","7","1177","","10.1021/om980508z","","","0.71069","MoKα","","0.1663","0.0529","","0.1851","0.1362","","","","1.042","1.101","1.101","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077731","12.5279","0.0009","6.7169","0.0005","15.4844","0.0012","90","","96.677","0.002","90","","1294.15","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N O2 Ti -","- C12 H16 Cl N O2 Ti -","- C48 H64 Cl4 N4 O8 Ti4 -","4","1","","Doherty, Simon; Errington, R. John; Housley, Neil; Ridland, John; Clegg, William; Elsegood, Mark R. J.","N-Alkoxy-β-ketoiminate Complexes of Groups 4 and 5: Synthesis and Characterization of the Complexes [(η5-C5H4R)M{CH3C(O)CHC(NCH2CHR‘O)CH3}Cln] (M = Ti,n= 1; M = Nb,n= 2; R = H, Me; R‘ = H, Me), [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}Cl2(thf)], and [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}2]","Organometallics","1999","18","6","1018","","10.1021/om980510q","","","0.71073","MoKα","","0.0655","0.0585","","","0.1504","0.1546","","","","","","1.062","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077732","8.7435","0.0005","11.6855","0.0008","14.3168","0.0009","90","","91.346","0.002","90","","1462.37","0.16","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 Cl2 N O3 Ti -","- C11 H19 Cl2 N O3 Ti -","- C44 H76 Cl8 N4 O12 Ti4 -","4","1","","Doherty, Simon; Errington, R. John; Housley, Neil; Ridland, John; Clegg, William; Elsegood, Mark R. J.","N-Alkoxy-β-ketoiminate Complexes of Groups 4 and 5: Synthesis and Characterization of the Complexes [(η5-C5H4R)M{CH3C(O)CHC(NCH2CHR‘O)CH3}Cln] (M = Ti,n= 1; M = Nb,n= 2; R = H, Me; R‘ = H, Me), [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}Cl2(thf)], and [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}2]","Organometallics","1999","18","6","1018","","10.1021/om980510q","","","0.71073","MoKα","","0.0526","0.0383","","","0.0888","0.0954","","","","","","1.055","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077733","14.4022","0.0009","14.6208","0.0009","14.8973","0.0009","90","","90","","90","","3136.9","0.3","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H21 Cl2 N O3 Ti -","- C12 H21 Cl2 N O3 Ti -","- C96 H168 Cl16 N8 O24 Ti8 -","8","1","","Doherty, Simon; Errington, R. John; Housley, Neil; Ridland, John; Clegg, William; Elsegood, Mark R. J.","N-Alkoxy-β-ketoiminate Complexes of Groups 4 and 5: Synthesis and Characterization of the Complexes [(η5-C5H4R)M{CH3C(O)CHC(NCH2CHR‘O)CH3}Cln] (M = Ti,n= 1; M = Nb,n= 2; R = H, Me; R‘ = H, Me), [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}Cl2(thf)], and [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}2]","Organometallics","1999","18","6","1018","","10.1021/om980510q","","","0.71073","MoKα","","0.0641","0.0457","","","0.0949","0.1037","","","","","","1.07","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077734","7.995","0.003","11.264","0.005","11.58","0.005","79.44","0.03","72.29","0.019","74.96","0.02","953.2","0.7","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Cl2 N2 O4 Ti -","- C15.001 H24 Cl2 N2 O4 Ti -","- C30.002 H48 Cl4 N4 O8 Ti2 -","2","1","","Doherty, Simon; Errington, R. John; Housley, Neil; Ridland, John; Clegg, William; Elsegood, Mark R. J.","N-Alkoxy-β-ketoiminate Complexes of Groups 4 and 5: Synthesis and Characterization of the Complexes [(η5-C5H4R)M{CH3C(O)CHC(NCH2CHR‘O)CH3}Cln] (M = Ti,n= 1; M = Nb,n= 2; R = H, Me; R‘ = H, Me), [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}Cl2(thf)], and [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}2]","Organometallics","1999","18","6","1018","","10.1021/om980510q","","","1.54184","CuKα","","0.0396","0.039","","","0.0965","0.0972","","","","","","1.039","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077735","7.8414","0.0005","13.0378","0.0008","14.4708","0.0009","104.134","0.002","94.292","0.002","98.097","0.002","1411.11","0.15","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl2 N Nb O2 -","- C12 H16 Cl2 N Nb O2 -","- C48 H64 Cl8 N4 Nb4 O8 -","4","2","","Doherty, Simon; Errington, R. John; Housley, Neil; Ridland, John; Clegg, William; Elsegood, Mark R. J.","N-Alkoxy-β-ketoiminate Complexes of Groups 4 and 5: Synthesis and Characterization of the Complexes [(η5-C5H4R)M{CH3C(O)CHC(NCH2CHR‘O)CH3}Cln] (M = Ti,n= 1; M = Nb,n= 2; R = H, Me; R‘ = H, Me), [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}Cl2(thf)], and [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}2]","Organometallics","1999","18","6","1018","","10.1021/om980510q","","","0.71073","MoKα","","0.0303","0.0267","","","0.0688","0.0714","","","","","","1.073","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077736","6.147","0.001","43.404","0.009","8.187","0.002","90","","106.6","0.03","90","","2093.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Fe O4 Os -","- C22 H24 Fe O4 Os -","- C88 H96 Fe4 O16 Os4 -","4","1","","Lindner, Ekkehard; Krebs, Ilmari; Fawzi, Riad; Steimann, Manfred; Speiser, Bernd","Synthesis, Structure, and Electrochemistry of Osmametallocenophanes with Different Ring Size†,1","Organometallics","1999","18","4","480","","10.1021/om980713e","","","0.71073","MoKα","","0.1604","0.0835","","0.6942","0.2228","","","","2.467","2.324","2.324","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077737","5.901","0.003","49.915","0.011","9.112","0.002","90","","108.64","0.03","90","","2543.1","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 O4 Os Ru -","- C26 H32 O4 Os Ru -","- C104 H128 O16 Os4 Ru4 -","4","1","","Lindner, Ekkehard; Krebs, Ilmari; Fawzi, Riad; Steimann, Manfred; Speiser, Bernd","Synthesis, Structure, and Electrochemistry of Osmametallocenophanes with Different Ring Size†,1","Organometallics","1999","18","4","480","","10.1021/om980713e","","","0.71073","MoKα","","0.166","0.0904","","0.2935","0.2061","","","","2.231","2.088","2.088","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077738","7.877","0.001","8.793","0.001","13.087","0.002","93.309","0.013","105.005","0.012","108.641","0.012","819.8","0.2","298","2","298","2","","","","","","","","6","P 1","P 1","1","(S,S)-1,1'-Bis(2-methoxyphenyl(phenyl)- phosphino)ferrocene borane'","","","- C36 H38 B2 Fe O2 P2 -","- C36 H38 B2 Fe O2 P2 -","- C36 H38 B2 Fe O2 P2 -","1","1","","Maienza, Francesca; Wörle, Michael; Steffanut, Pascal; Mezzetti, Antonio; Spindler, Felix","Ferrocenyl Diphosphines Containing Stereogenic Phosphorus Atoms. Synthesis and Application in the Rhodium-Catalyzed Asymmetric Hydrogenation","Organometallics","1999","18","6","1041","","10.1021/om980754a","","","0.71073","MoKα","","0.0428","0.0372","","0.092","0.0863","","","","1.065","1.048","1.048","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077739","14.0951","0.0005","16.8149","0.0006","29.3881","0.0011","90","","90","","90","","6965.2","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PtCl2((S,S)-2a)] (5a)","","","- C73 H66 Cl6 Fe2 O4 P4 Pt2 -","- C73 H66 Cl6 Fe2 O4 P4 Pt2 -","- C292 H264 Cl24 Fe8 O16 P16 Pt8 -","4","1","","Maienza, Francesca; Wörle, Michael; Steffanut, Pascal; Mezzetti, Antonio; Spindler, Felix","Ferrocenyl Diphosphines Containing Stereogenic Phosphorus Atoms. Synthesis and Application in the Rhodium-Catalyzed Asymmetric Hydrogenation","Organometallics","1999","18","6","1041","","10.1021/om980754a","","","0.71073","MoKα","","0.0676","0.0462","","0.1029","0.0947","","","","0.985","1.029","1.029","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077740","11.8666","0.0012","16.5989","0.0017","15.8624","0.0016","90","","103.901","0.003","90","","3032.9","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Fe2 N3 O6 P2 -","- C27 H31 Fe2 N3 O6 P2 -","- C108 H124 Fe8 N12 O24 P8 -","4","1","","Doherty, Simon; Waugh, Mark; Scanlan, Tom H.; Elsegood, Mark R. J.; Clegg, William","Regioselective Addition of Tris(dialkylamino) Phosphines to [Fe2(CO)6(μ-PPh2){μ-η1:η2-(H)CCCH2}]: Novel P−C Coupling Reactions and Unusual Hydrocarbyl Rearrangements","Organometallics","1999","18","4","679","","10.1021/om980757n","","","0.71073","MoKα","","0.0761","0.0458","","","0.1012","0.1129","","","","","","0.992","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077741","9.0206","0.0015","16.567","0.003","10.5544","0.0017","90","","105.853","0.004","90","","1517.3","0.4","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H31 Fe2 N3 O6 P2 -","- C27 H31 Fe2 N3 O6 P2 -","- C54 H62 Fe4 N6 O12 P4 -","2","1","","Doherty, Simon; Waugh, Mark; Scanlan, Tom H.; Elsegood, Mark R. J.; Clegg, William","Regioselective Addition of Tris(dialkylamino) Phosphines to [Fe2(CO)6(μ-PPh2){μ-η1:η2-(H)CCCH2}]: Novel P−C Coupling Reactions and Unusual Hydrocarbyl Rearrangements","Organometallics","1999","18","4","679","","10.1021/om980757n","","","0.71073","MoKα","","0.0664","0.0522","","","0.1183","0.1269","","","","","","1.015","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077742","18.0652","0.0017","11.6135","0.0011","16.2378","0.0014","90","","90.638","0.002","90","","3406.5","0.5","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Fe2 N3 O5 P2 -","- C32 H43 Fe2 N3 O5 P2 -","- C128 H172 Fe8 N12 O20 P8 -","4","1","","Doherty, Simon; Waugh, Mark; Scanlan, Tom H.; Elsegood, Mark R. J.; Clegg, William","Regioselective Addition of Tris(dialkylamino) Phosphines to [Fe2(CO)6(μ-PPh2){μ-η1:η2-(H)CCCH2}]: Novel P−C Coupling Reactions and Unusual Hydrocarbyl Rearrangements","Organometallics","1999","18","4","679","","10.1021/om980757n","","","0.71073","MoKα","","0.041","0.0267","","","0.0622","0.066","","","","","","1.035","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077743","16.136","0.004","14.227","0.003","31.614","0.007","90","","95.183","0.006","90","","7228","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H43 Fe2 N3 O6 P2 -","- C33 H43 Fe2 N3 O6 P2 -","- C264 H344 Fe16 N24 O48 P16 -","8","1","","Doherty, Simon; Waugh, Mark; Scanlan, Tom H.; Elsegood, Mark R. J.; Clegg, William","Regioselective Addition of Tris(dialkylamino) Phosphines to [Fe2(CO)6(μ-PPh2){μ-η1:η2-(H)CCCH2}]: Novel P−C Coupling Reactions and Unusual Hydrocarbyl Rearrangements","Organometallics","1999","18","4","679","","10.1021/om980757n","","","0.71073","MoKα","","0.0655","0.0392","","","0.0871","0.0963","","","","","","1.012","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077744","10.5273","0.0013","11.3159","0.0014","17.517","0.002","72.776","0.003","83.932","0.003","75.915","0.003","1931.9","0.4","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Cl2 Fe2 O6 P2 -","- C40 H30 Cl2 Fe2 O6 P2 -","- C80 H60 Cl4 Fe4 O12 P4 -","2","1","","Doherty, Simon; Waugh, Mark; Scanlan, Tom H.; Elsegood, Mark R. J.; Clegg, William","Regioselective Addition of Tris(dialkylamino) Phosphines to [Fe2(CO)6(μ-PPh2){μ-η1:η2-(H)CCCH2}]: Novel P−C Coupling Reactions and Unusual Hydrocarbyl Rearrangements","Organometallics","1999","18","4","679","","10.1021/om980757n","","","0.71073","MoKα","","0.1389","0.1097","","","0.293","0.3014","","","","","","1.161","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077745","16.7155","0.0008","25.7634","0.0012","17.0192","0.0008","90","","99.635","0.002","90","","7225.9","0.6","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H29 Cl Fe2 O6 P2 -","- C39.5 H29 Cl Fe2 O6 P2 -","- C316 H232 Cl8 Fe16 O48 P16 -","8","2","","Doherty, Simon; Waugh, Mark; Scanlan, Tom H.; Elsegood, Mark R. J.; Clegg, William","Regioselective Addition of Tris(dialkylamino) Phosphines to [Fe2(CO)6(μ-PPh2){μ-η1:η2-(H)CCCH2}]: Novel P−C Coupling Reactions and Unusual Hydrocarbyl Rearrangements","Organometallics","1999","18","4","679","","10.1021/om980757n","","","0.71073","MoKα","","0.1174","0.0558","","","0.104","0.1247","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077746","11.856","0.006","15.22","0.006","17.399","0.006","90","","90","","90","","3140","2","153","","153","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 Eu2 -","- C35 H46 Eu2 -","- C140 H184 Eu8 -","4","1","","Evans, William J.; Johnston, Matthew A.; Greci, Michael A.; Ziller, Joseph W.","Synthesis, Structure, and Reactivity of Unsolvated Triple-Decked Bent Metallocenes of Divalent Europium and Ytterbium","Organometallics","1999","18","8","1460","","10.1021/om980762r","","","0.71073","MoKα","","0.076","0.0526","","0.1665","0.1519","","","","1.255","1.315","1.315","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077747","13.338","0.002","13.549","0.002","15.815","0.002","114.772","0.007","93.948","0.011","90.803","0.014","2586","0.7","163","","163","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H38 Yb2 -","- C28 H38 Yb2 -","- C112 H152 Yb8 -","4","2","","Evans, William J.; Johnston, Matthew A.; Greci, Michael A.; Ziller, Joseph W.","Synthesis, Structure, and Reactivity of Unsolvated Triple-Decked Bent Metallocenes of Divalent Europium and Ytterbium","Organometallics","1999","18","8","1460","","10.1021/om980762r","","","0.71073","MoKα","","0.0798","0.0604","","0.1777","0.1607","","","","1.032","1.061","1.061","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077748","13.6333","0.0017","18.674","0.003","18.33","0.003","90","","97.998","0.012","90","","4621.2","1.2","150","","150","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 Cl26 N2 P2 Pd2 -","- C70 H90 Cl26 N2 P2 Pd2 -","- C140 H180 Cl52 N4 P4 Pd4 -","2","0.5","","van der Sluis, Marcel; Beverwijk, Vincent; Termaten, Arjan; Bickelhaupt, Friedrich; Kooijman, Huub; Spek, Anthony L.","Synthesis of Novel Phosphaalkene-Based Bidentate Ligands Mes*PCH(3-R-Ar) (R = Pyridyl, Carbaldimino) and Formation of Three-Membered Palladacycles Mes*(Me)P−CH(3-R-Ar)−PdCl by Carbapalladation of the PC Double Bond†","Organometallics","1999","18","8","1402","","10.1021/om980913q","","","0.71073","MoKα","","0.1519","0.0655","","","0.117","0.145","","","","","","1.016","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077749","12.788","0.003","9.086","0.002","14.702","0.003","90","","104.84","0.02","90","","1651.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Ga2 N2 -","- C36 H48 Ga2 N2 -","- C72 H96 Ga4 N4 -","2","0.5","","Jutzi, Peter; Neumann, Beate; Reumann, Guido; Stammler, Hans-Georg","Novel Ga2N2Ring Systems by Reaction of Pentamethylcyclopentadienylgallium with Organic Azides","Organometallics","1999","18","10","2037","","10.1021/om980944l","","","0.71073","MoKα","","0.0708","0.041","","","0.0823","0.0916","","","","","","1.033","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077750","9.4749","0.0006","9.7282","0.0007","13.8581","0.0009","88.476","0.001","70.042","0.001","64.883","0.001","1076.56","0.13","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H66 Ga2 N8 Si4 -","- C32 H66 Ga2 N8 Si4 -","- C32 H66 Ga2 N8 Si4 -","1","0.5","","Jutzi, Peter; Neumann, Beate; Reumann, Guido; Stammler, Hans-Georg","Novel Ga2N2Ring Systems by Reaction of Pentamethylcyclopentadienylgallium with Organic Azides","Organometallics","1999","18","10","2037","","10.1021/om980944l","","","0.71073","MoKα","","0.0752","0.042","","","0.0796","0.0912","","","","","","1.013","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077751","21.625","0.0015","19.226","0.0015","15.125","0.001","90","","90","","90","","6288.4","0.8","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H77 Cl2 Gd4 N5 O3 Si4 -","- C56 H64 Cl2 Gd4 N5 O3 Si4 -","- C224 H256 Cl8 Gd16 N20 O12 Si16 -","4","","","Xie, Zuowei; Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.","Synthesis and Structure of the First Tetranuclear Organolanthanide Cluster Containing aμ4-Imido Group","Organometallics","1999","18","9","1578","","10.1021/om981002j","","","0.71073","MoKα","","0.0642","0.0631","","0.1597","0.1583","","","","1.058","1.059","1.059","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077752","21.528","0.0012","19.101","0.0011","15.104","0.001","90","","90","","90","","6210.9","0.6","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H77 Cl2 Er4 N5 O3 Si4 -","- C56 H77 Cl2 Er4 N5 O3 Si4 -","- C224 H308 Cl8 Er16 N20 O12 Si16 -","4","","","Xie, Zuowei; Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.","Synthesis and Structure of the First Tetranuclear Organolanthanide Cluster Containing aμ4-Imido Group","Organometallics","1999","18","9","1578","","10.1021/om981002j","","","0.71073","MoKα","","0.0632","0.0518","","0.1182","0.1124","","","","1.137","1.154","1.154","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077753","10.141","0.001","10.96","0.001","31.183","0.004","90","","90","","90","","3465.8","0.6","200","1","200","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H57 O3 P W -","- C34 H57 O3 P W -","- C136 H228 O12 P4 W4 -","4","1","","Scheer, Manfred; Kramkowski, Peter; Schuster, Kay","An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†","Organometallics","1999","18","15","2874","","10.1021/om990019e","","","0.71069","MoKα","","0.0595","0.0504","","0.1259","0.1167","","","","1.107","1.081","1.081","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077754","10.878","0.002","16.796","0.003","11.577","0.002","90","","114.83","0.03","90","","1919.7","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 O14 P2 W4 -","- C26 H36 O14 P2 W4 -","- C52 H72 O28 P4 W8 -","2","0.5","","Scheer, Manfred; Kramkowski, Peter; Schuster, Kay","An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†","Organometallics","1999","18","15","2874","","10.1021/om990019e","","","0.71073","MoKα","","0.033","0.0264","","","0.0642","0.0683","","","","","","1.107","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077755","12.201","0.002","10.034","0.002","20.883","0.004","90","","94.85","0.03","90","","2547.4","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O8 P W2 -","- C17 H27 O8 P W2 -","- C68 H108 O32 P4 W8 -","4","1","","Scheer, Manfred; Kramkowski, Peter; Schuster, Kay","An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†","Organometallics","1999","18","15","2874","","10.1021/om990019e","","","0.71073","MoKα","","0.0976","0.0482","","0.0988","0.0853","","","","1.008","1.132","1.132","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077756","9.623","0.001","18.272","0.001","30.565","0.008","90","","90","","90","","5374.3","1.5","200","1","200","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H45 O3 P W -","- C22 H45 O3 P W -","- C176 H360 O24 P8 W8 -","8","1","","Scheer, Manfred; Kramkowski, Peter; Schuster, Kay","An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†","Organometallics","1999","18","15","2874","","10.1021/om990019e","","","0.71069","MoKα","","0.0561","0.0301","","0.0798","0.07","","","","1.02","1.066","1.066","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077757","10.6961","0.0008","12.5573","0.0008","19.3285","0.001","105.931","0.005","98.744","0.005","91.686","0.007","2460.4","0.3","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H58 Cr2 O9 P2 -","- C47 H58 Cr2 O9 P2 -","- C94 H116 Cr4 O18 P4 -","2","1","","Scheer, Manfred; Kramkowski, Peter; Schuster, Kay","An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†","Organometallics","1999","18","15","2874","","10.1021/om990019e","","","0.71073","MoKa","","0.0807","0.0406","","0.1198","0.1036","","","","1.017","1.073","1.073","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077758","9.647","0.0019","10.9","0.002","16.267","0.003","107.96","0.03","90.27","0.03","99.53","0.03","1601.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Compound 2c.(MeOH)0.5","","","- C25.5 H24 Mo3 O6.5 S5 W -","- C25.5 H22 Mo3 O6.5 S5 W -","- C51 H44 Mo6 O13 S10 W2 -","2","1","","Rink, Barbara; Brorson, Michael; Scowen, Ian J.","New Heterometallic Cubane-Like Clusters [{(η5-Cp)Mo}3S4{M‘(CO)3}](pts) (M‘ = Cr, Mo, W; pts =p-Toluenesulfonate) Obtained by Ligand Substitution Reactions and Insertion of {M‘(CO)3} Fragments","Organometallics","1999","18","12","2309","","10.1021/om990029f","","","0.71073","MoKα","","0.057","0.0506","","","0.1816","0.1871","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077759","12.444","0.003","16.842","0.003","23.757","0.005","90","","96.18","0.03","90","","4950.1","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 O6 P4 Pt Ru2 -","- C56 H44 O6 P4 Pt Ru2 -","- C224 H176 O24 P16 Pt4 Ru8 -","4","1","","Sterenberg, Brian T.; Jennings, Michael C.; Puddephatt, Richard J.","Complexes with Platinum−Ruthenium Bonds: The Stepwise Formation of Complexes Containing PtRu and PtRu2Units","Organometallics","1999","18","11","2162","","10.1021/om990032z","","","0.71073","MoKα","","0.0429","0.0288","","0.0667","0.0621","","","","1.059","1.101","1.101","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077760","19.788","0.004","16.897","0.003","17.302","0.004","90","","106.37","0.03","90","","5551","2","292","2","292","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C55.5 H52 Cl4 O2 P4 Pt Ru -","- C55.5 H52 Cl4 O2 P4 Pt Ru -","- C222 H208 Cl16 O8 P16 Pt4 Ru4 -","4","1","","Sterenberg, Brian T.; Jennings, Michael C.; Puddephatt, Richard J.","Complexes with Platinum−Ruthenium Bonds: The Stepwise Formation of Complexes Containing PtRu and PtRu2Units","Organometallics","1999","18","11","2162","","10.1021/om990032z","","","0.71073","MoKα","","0.0526","0.0497","","","0.1384","0.1426","","","","","","1.047","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077761","17.678","0.005","11.559","0.001","20.474","0.001","90","","103.63","0.009","90","","4065.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 O4 Rh4 Ta -","- C42 H63 O4 Rh4 Ta -","- C168 H252 O16 Rh16 Ta4 -","4","1","","Fandos, Rosa; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, Maria José; García Fierro, José Luis; Terreros, Pilar","Rhodium and Iridium Hydroxide Complexes [M(μ-OH)(COD)]2(M = Rh, Ir) as Versatile Precursors of Homo and Early−Late Heterobimetallic Compounds. X-ray Crystal Structures of Cp*Ta(μ3-O)4[Rh(COD)]4(Cp* = η5-C5Me5) and [Ir(2-O-3-CN-4,6-Me2-C5HN)(COD)]2","Organometallics","1999","18","14","2718","","10.1021/om990065e","","","0.7107","MoKα","","0.149","0.0548","","","0.0873","0.1407","","","","","","0.971","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077762","10.561","0.004","10.988","0.003","15.45","0.01","80.76","0.05","70.11","0.04","61.37","0.02","1479.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Ir2 N4 O2 -","- C32 H38 Ir2 N4 O2 -","- C64 H76 Ir4 N8 O4 -","2","1","","Fandos, Rosa; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, Maria José; García Fierro, José Luis; Terreros, Pilar","Rhodium and Iridium Hydroxide Complexes [M(μ-OH)(COD)]2(M = Rh, Ir) as Versatile Precursors of Homo and Early−Late Heterobimetallic Compounds. X-ray Crystal Structures of Cp*Ta(μ3-O)4[Rh(COD)]4(Cp* = η5-C5Me5) and [Ir(2-O-3-CN-4,6-Me2-C5HN)(COD)]2","Organometallics","1999","18","14","2718","","10.1021/om990065e","","","0.7107","MoKα","","0.0663","0.0417","","","0.0962","0.1221","","","","","","1.025","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077763","13.693","0.001","6.292","0.001","14.12","0.001","90","","105.41","0.01","90","","1172.8","0.2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cl F5 Hg O S -","- C8 H6 Cl F5 Hg O S -","- C32 H24 Cl4 F20 Hg4 O4 S4 -","4","1","","Tschinkl, Martin; Schier, Annette; Riede, Jürgen; Gabbaï, François P.","Complexation of DMF and DMSO by a Monodentate Organomercurial Lewis Acid","Organometallics","1999","18","10","2040","","10.1021/om990081b","","","0.71073","MoKα","","0.037","0.0318","","0.0906","0.0833","","","","1.042","1.072","1.072","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077764","10.445","0.001","12.962","0.003","15.404","0.003","101.37","0.01","95.97","0.01","92.78","0.01","2028.4","0.6","176","2","176","2","","","","","","","","7","P -1","-P 1","2","","","","- C7.5 H3.5 Cl F5 Hg N0.5 O0.5 -","- C7.5 H3.5 Cl F5 Hg N0.5 O0.5 -","- C60 H28 Cl8 F40 Hg8 N4 O4 -","8","4","","Tschinkl, Martin; Schier, Annette; Riede, Jürgen; Gabbaï, François P.","Complexation of DMF and DMSO by a Monodentate Organomercurial Lewis Acid","Organometallics","1999","18","10","2040","","10.1021/om990081b","","","0.71073","MoKα","","0.0637","0.0356","","0.1014","0.0874","","","","0.986","1.035","1.035","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077765","7.2512","0.0004","14.4243","0.0018","28.001","0.004","90","","97.4","0.01","90","","2904.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C5Me5Ir(CO)B3H7","","- C11 H22 B3 Ir O -","- C11 H22 B3 Ir O -","- C88 H176 B24 Ir8 O8 -","8","2","","Lei, Xinjian; Bandyopadhyay, Ananda K.; Shang, Maoyu; Fehlner, Thomas P.","Novel Iridaboranes from the Reactions of Cp*2Ir2HxCl4-x,x= 0−2, with LiBH4. Existence of a Concurrent Reaction Channel in the Conversion of Metal Chlorides to Metal Hydrides","Organometallics","1999","18","12","2294","","10.1021/om990091c","","","0.71073","MoKα","","0.0822","0.0475","","","0.1067","0.1324","","","","","","1.042","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077766","8.551","0.002","10.306","0.002","14.884","0.002","107.113","0.013","92.554","0.012","111.67","0.02","1147.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","{(C5Me5Ir)2H3B2H5","","- C20 H38 B2 Ir2 -","- C20 H38 B2 Ir2 -","- C40 H76 B4 Ir4 -","2","1","","Lei, Xinjian; Bandyopadhyay, Ananda K.; Shang, Maoyu; Fehlner, Thomas P.","Novel Iridaboranes from the Reactions of Cp*2Ir2HxCl4-x,x= 0−2, with LiBH4. Existence of a Concurrent Reaction Channel in the Conversion of Metal Chlorides to Metal Hydrides","Organometallics","1999","18","12","2294","","10.1021/om990091c","","","0.71073","MoKα","","0.0503","0.0389","","0.1013","0.0963","","","","1.058","1.134","1.134","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077767","7.252","0.0015","16.144","0.003","12.733","0.003","90","","90","","90","","1490.7","0.5","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H13 Cr2 O4 P -","- C14 H13 Cr2 O4 P -","- C56 H52 Cr8 O16 P4 -","4","0.5","","Sekar, Perumal; Scheer, Manfred; Voigt, Andreas; Kirmse, Reinhard","Unusual Reactivity of a Cr2P2Tetrahedral Complex toward Superhydride; Formation of [{CpCr(CO)2}2(μ-PH2)x(μ-H)2-x] (x= 1 and 2) and [\λangle {CpCr(CO)2}2(μ-PH)〉{(CpCr)2(μ,η1:η1:η5:η5-P5)}]†","Organometallics","1999","18","15","2833","","10.1021/om990098u","","","0.71073","MoKα","","0.03","0.0246","","0.0694","0.064","","","","1.102","1.092","1.092","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077768","14.156","0.003","23.05","0.005","15.818","0.003","90","","109.54","0.03","90","","4864","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cr2 O4 P2 -","- C14 H14 Cr2 O4 P2 -","- C168 H168 Cr24 O48 P24 -","12","3","","Sekar, Perumal; Scheer, Manfred; Voigt, Andreas; Kirmse, Reinhard","Unusual Reactivity of a Cr2P2Tetrahedral Complex toward Superhydride; Formation of [{CpCr(CO)2}2(μ-PH2)x(μ-H)2-x] (x= 1 and 2) and [\λangle {CpCr(CO)2}2(μ-PH)〉{(CpCr)2(μ,η1:η1:η5:η5-P5)}]†","Organometallics","1999","18","15","2833","","10.1021/om990098u","","","0.71073","MoKα","","0.0873","0.0536","","","0.1294","0.15","","","","","","1.033","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077769","10.077","0.002","14.895","0.003","22.571","0.005","90","","97.68","0.03","90","","3357.4","1.2","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cr4 O4 P6 -","- C31 H29 Cr4 O4 P6 -","- C124 H116 Cr16 O16 P24 -","4","1","","Sekar, Perumal; Scheer, Manfred; Voigt, Andreas; Kirmse, Reinhard","Unusual Reactivity of a Cr2P2Tetrahedral Complex toward Superhydride; Formation of [{CpCr(CO)2}2(μ-PH2)x(μ-H)2-x] (x= 1 and 2) and [\λangle {CpCr(CO)2}2(μ-PH)〉{(CpCr)2(μ,η1:η1:η5:η5-P5)}]†","Organometallics","1999","18","15","2833","","10.1021/om990098u","","","0.71073","MoKα","","0.1397","0.0524","","","0.0685","0.0879","","","","","","0.853","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077770","17.7921","0.0013","18.3983","0.0015","25.016","0.002","90","","90","","90","","8188.8","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H31 Cl11 D3 O2 P Pt -","- C32 H34 Cl11 O2 P Pt -","- C256 H272 Cl88 O16 P8 Pt8 -","8","1","","Vicente, José; Chicote, María-Teresa; MacBeath, Calum; Fernández-Baeza, Juan; Bautista, Delia","Nucleophilic Attack of Carbonyl-Stabilized Phosphorus Ylides on 1,5-Cyclooctadiene Complexes of Palladium and Platinum","Organometallics","1999","18","14","2677","","10.1021/om9901022","","","0.71073","MoKα","","0.0998","0.0613","","0.1509","0.1321","","","","1.036","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077771","15.8478","0.0012","12.6315","0.0008","21.8574","0.0012","90","","102.98","0.004","90","","4263.6","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 F6 N2 O8 P Pt S2 -","- C41 H41 F6 N2 O8 P Pt S2 -","- C164 H164 F24 N8 O32 P4 Pt4 S8 -","4","1","","Vicente, José; Chicote, María-Teresa; MacBeath, Calum; Fernández-Baeza, Juan; Bautista, Delia","Nucleophilic Attack of Carbonyl-Stabilized Phosphorus Ylides on 1,5-Cyclooctadiene Complexes of Palladium and Platinum","Organometallics","1999","18","14","2677","","10.1021/om9901022","","","0.71073","MoKα","","0.0647","0.0437","","0.1087","0.0987","","","","0.982","1.026","1.026","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077772","10.6985","0.0008","11.8973","0.0008","17.5225","0.0014","103.495","0.006","92.797","0.006","114.671","0.008","1943.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.85 H21.57 Cl0.14 N2 O Pd -","- C23.8555 H21.5665 Cl0.1445 N2 O Pd -","- C95.422 H86.266 Cl0.578 N8 O4 Pd4 -","4","2","","Hovestad, Neldes J.; Hoare, Jason L.; Jastrzebski, Johann T. B. H.; Canty, Allan J.; Smeets, Wilberth J. J.; Spek, Anthony L.; van Koten, Gerard","Periphery-Palladated Carbosilane Dendrimers: Synthesis and Reactivity of Organopalladium(II) and -(IV) Dendritic Complexes. Crystal Structure of [PdMe(C6H4(OCH2Ph)-4)(bpy)] (bpy = 2,2‘-Bipyridine)","Organometallics","1999","18","16","2970","","10.1021/om9901269","","","0.71073","MoKα","","0.1257","0.0592","","0.1356","0.1115","","","","0.998","1.095","1.095","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077773","8.7492","0.0008","10.6231","0.0011","13.6351","0.001","73.608","0.001","77.941","0.001","72.72","","1150.03","0.18","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 Cl N Zr -","- C24 H37 Cl N Zr -","- C48 H74 Cl2 N2 Zr2 -","2","1","","Segerer, Ulrike; Blaurock, Steffen; Sieler, Joachim; Hey-Hawkins, Evamarie","Insertion of Acetonitrile into the Zr−P Bond of [Cp°2ZrCl(PHCy)] (Cy = Cyclohexyl, Cp° = η5-C5EtMe4) Followed by PHCy Elimination To Give [Cp°2(Cl)Zr(μ-NCMe−CMeN)Zr(Cl)Cp°2]†","Organometallics","1999","18","15","2838","","10.1021/om9901271","","","0.71073","MoKα","","0.0561","0.0474","","","0.1044","0.1114","","","","","","1.093","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077774","10.5957","0.0001","18.5879","0.0001","15.5533","0.0001","90","","98.457","0.001","90","","3029.94","0.04","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Cl N P Zr -","- C30 H49 Cl N P Zr -","- C120 H196 Cl4 N4 P4 Zr4 -","4","1","","Segerer, Ulrike; Blaurock, Steffen; Sieler, Joachim; Hey-Hawkins, Evamarie","Insertion of Acetonitrile into the Zr−P Bond of [Cp°2ZrCl(PHCy)] (Cy = Cyclohexyl, Cp° = η5-C5EtMe4) Followed by PHCy Elimination To Give [Cp°2(Cl)Zr(μ-NCMe−CMeN)Zr(Cl)Cp°2]†","Organometallics","1999","18","15","2838","","10.1021/om9901271","","","0.71073","MoKα","","0.0498","0.0352","","0.0861","0.0782","","","","1.076","1.081","1.081","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077775","10.701","0.003","18.295","0.004","12.974","0.003","90","","102.62","0.02","90","","2478.6","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 B10 Cl2 O8 Ru3 -","- C10 H14 B10 Cl2 O8 Ru3 -","- C40 H56 B40 Cl8 O32 Ru12 -","4","1","","Ellis, Dianne D.; Franken, Andreas; Stone, F. Gordon A.","Synthesis and Reactions of the Triruthenamonocarboncarborane Cluster Complex [NHMe3][Ru3(CO)8(η5-7-CB10H11)]†","Organometallics","1999","18","12","2362","","10.1021/om990133x","","","0.71073","MoKα","","0.0385","0.0305","","0.0758","0.0695","","","","1.107","1.133","1.133","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077776","12.913","0.003","14.336","0.003","15.879","0.003","102.307","0.012","106.77","0.02","100.54","0.02","2654.3","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H43 B10 Cl2 Cu O7 P2 Ru3 -","- C45 H43 B10 Cl2 Cu O7 P2 Ru3 -","- C90 H86 B20 Cl4 Cu2 O14 P4 Ru6 -","2","1","","Ellis, Dianne D.; Franken, Andreas; Stone, F. Gordon A.","Synthesis and Reactions of the Triruthenamonocarboncarborane Cluster Complex [NHMe3][Ru3(CO)8(η5-7-CB10H11)]†","Organometallics","1999","18","12","2362","","10.1021/om990133x","","","0.71073","MoKα","","0.0983","0.0508","","0.0996","0.0839","","","","1.017","1.09","1.09","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077777","12.222","0.004","13.027","0.003","13.317","0.003","80.48","0.02","82.25","0.02","62.98","0.02","1858.5","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Au B10 O8 P Ru3 -","- C27 H26 Au B10 O8 P Ru3 -","- C54 H52 Au2 B20 O16 P2 Ru6 -","2","1","","Ellis, Dianne D.; Franken, Andreas; Stone, F. Gordon A.","Synthesis and Reactions of the Triruthenamonocarboncarborane Cluster Complex [NHMe3][Ru3(CO)8(η5-7-CB10H11)]†","Organometallics","1999","18","12","2362","","10.1021/om990133x","","","0.71073","MoKα","","0.0863","0.0503","","0.1193","0.1076","","","","0.989","1.09","1.09","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077778","13.515","0.001","21.974","0.002","27.244","0.003","90","","94.716","0.009","90","","8063.5","1.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H28 Au4 F40 Fe P2 S2 -","- C82 H28 Au4 F40 Fe P2 S2 -","- C328 H112 Au16 F160 Fe4 P8 S8 -","4","0.5","","Crespo, Olga; Canales, Fernando; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio","Synthesis of [Au2(SC6F5)2(μ-dppf)] and [Au2(μ-SC6F5)(μ-dppf)] (dppf = 1,1‘-Bis(diphenylphosphino)ferrocene). Reactivity toward Various Metallic Fragments","Organometallics","1999","18","16","3142","","10.1021/om9901372","","","0.71073","MoKα","","0.0652","0.0331","","0.063","0.0567","","","","0.872","0.985","0.985","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077779","14.953","0.005","30.587","0.008","21.606","0.005","90","","107.01","0.02","90","","9450","5","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H32 Au2 Cl6 F5 Fe O4 P2 S -","- C42 H31 Au2 Cl6 F5 Fe O4 P2 S -","- C336 H248 Au16 Cl48 F40 Fe8 O32 P16 S8 -","8","2","","Crespo, Olga; Canales, Fernando; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio","Synthesis of [Au2(SC6F5)2(μ-dppf)] and [Au2(μ-SC6F5)(μ-dppf)] (dppf = 1,1‘-Bis(diphenylphosphino)ferrocene). Reactivity toward Various Metallic Fragments","Organometallics","1999","18","16","3142","","10.1021/om9901372","","","0.71073","MoKα","","0.1418","0.0703","","","0.15","0.1714","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077780","10.99","0.02","9.93","0.01","7.462","0.008","90","","120.48","0.01","90","","701.8","1.6","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Co F6 O4 P -","- C12 H8 Co F6 O4 P -","- C24 H16 Co2 F12 O8 P2 -","2","0.25","","Braga, Dario; Maini, Lucia; Polito, Marco; Grepioni, Fabrizia","Hydrogen Bonds within an Ionic Environment: The Remarkable Behavior of the Zwitterion [CoIII(η5-C5H4COOH)(η5-C5H4COO)]","Organometallics","1999","18","14","2577","","10.1021/om990141d","","","0.71069","MoKα","","0.208","0.0782","","","0.1819","0.2535","","","","","","0.832","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077781","6.953","0.002","11.856","0.009","14.862","0.005","86.98","0.05","80.55","0.02","82.69","0.04","1198.1","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Co2 F6 O8 P -","- C24 H18 Co2 F6 O8 P -","- C48 H36 Co4 F12 O16 P2 -","2","1","","Braga, Dario; Maini, Lucia; Polito, Marco; Grepioni, Fabrizia","Hydrogen Bonds within an Ionic Environment: The Remarkable Behavior of the Zwitterion [CoIII(η5-C5H4COOH)(η5-C5H4COO)]","Organometallics","1999","18","14","2577","","10.1021/om990141d","","","0.71069","MoKα","","0.1341","0.0472","","","0.1207","0.1607","","","","","","0.983","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077782","5.951","0.002","7.864","0.001","14.298","0.008","74.4","0.03","78.22","0.03","74.45","0.02","614.6","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H9 Co F3 K0.5 O4 P0.5 -","- C12 H8 Co F3 K0.5 O4 P0.5 -","- C24 H16 Co2 F6 K O8 P -","2","1","","Braga, Dario; Maini, Lucia; Polito, Marco; Grepioni, Fabrizia","Hydrogen Bonds within an Ionic Environment: The Remarkable Behavior of the Zwitterion [CoIII(η5-C5H4COOH)(η5-C5H4COO)]","Organometallics","1999","18","14","2577","","10.1021/om990141d","","","0.71069","MoKα","","0.1837","0.0688","","","0.1561","0.1999","","","","","","0.891","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077783","10.18","0.001","25.012","0.004","26.11","0.005","90","","95.51","0.01","90","","6617.5","1.8","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Ir3 O13 P3 S3 Ti -","- C18 H32 Ir3 O13 P3 S3 Ti -","- C144 H256 Ir24 O104 P24 S24 Ti8 -","8","2","","Casado, Miguel A.; Ciriano, Miguel A.; Edwards, Andrew J.; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.","Sulfido-Bridged Tetranuclear Titanium−Iridium Complexes with an Unconventional Tetrahedral Iridium Center","Organometallics","1999","18","16","3025","","10.1021/om990154r","","","0.71073","MoKα","","0.1476","0.0655","","","0.1271","0.1578","","","","","","0.981","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077784","28.981","0.002","13.2742","0.0011","15.5704","0.0014","90","","115.623","0.002","90","","5400.9","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Fe2 N O6 P -","- C26 H22 Fe2 N O6 P -","- C208 H176 Fe16 N8 O48 P8 -","8","1","","Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Scanlan, Tom H.; Clegg, William; Elsegood, Mark R. J.","Regioselective Addition oftert-BuN⋮C to the α Carbon Atom of the Allenyl Ligand in [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of [Fe2(CO)6(μ-PPh2){μ-η1:η1-(tert-BuN⋮C)CCCH3}] and [Fe2(CO)6(μ-PPh2)(μ-η1:η2-{tert-BuNHC(O)CH2}CCH2)] via Competitive 1,3-Hydrogen Migration and Hydrolysis of the Reactive Allene-Bridged Intermediate [Fe2(CO)6(μ-PPh2){μ-η1:η1-(tert-BuNC)HCCCH2}]","Organometallics","1999","18","16","3178","","10.1021/om9901630","","","0.71073","MoKα","","0.0732","0.0404","","","0.0881","0.0983","","","","","","1.009","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077785","9.4537","0.0006","19.1346","0.0011","17.1325","0.001","90","","102.218","0.002","90","","3028.9","0.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Fe2 N2 O6 P -","- C29 H31 Fe2 N2 O6 P -","- C116 H124 Fe8 N8 O24 P4 -","4","1","","Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Scanlan, Tom H.; Clegg, William; Elsegood, Mark R. J.","Regioselective Addition oftert-BuN⋮C to the α Carbon Atom of the Allenyl Ligand in [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of [Fe2(CO)6(μ-PPh2){μ-η1:η1-(tert-BuN⋮C)CCCH3}] and [Fe2(CO)6(μ-PPh2)(μ-η1:η2-{tert-BuNHC(O)CH2}CCH2)] via Competitive 1,3-Hydrogen Migration and Hydrolysis of the Reactive Allene-Bridged Intermediate [Fe2(CO)6(μ-PPh2){μ-η1:η1-(tert-BuNC)HCCCH2}]","Organometallics","1999","18","16","3178","","10.1021/om9901630","","","0.71073","MoKα","","0.0463","0.0321","","","0.0754","0.0784","","","","","","1.007","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077786","8.5433","0.0005","11.6773","0.0007","13.413","0.0007","91.276","0.002","99.797","0.002","103.431","0.002","1279.87","0.13","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Fe2 N O6 P -","- C25 H24 Fe2 N O6 P -","- C50 H48 Fe4 N2 O12 P2 -","2","1","","Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Scanlan, Tom H.; Clegg, William; Elsegood, Mark R. J.","Regioselective Addition oftert-BuN⋮C to the α Carbon Atom of the Allenyl Ligand in [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of [Fe2(CO)6(μ-PPh2){μ-η1:η1-(tert-BuN⋮C)CCCH3}] and [Fe2(CO)6(μ-PPh2)(μ-η1:η2-{tert-BuNHC(O)CH2}CCH2)] via Competitive 1,3-Hydrogen Migration and Hydrolysis of the Reactive Allene-Bridged Intermediate [Fe2(CO)6(μ-PPh2){μ-η1:η1-(tert-BuNC)HCCCH2}]","Organometallics","1999","18","16","3178","","10.1021/om9901630","","","0.71073","MoKα","","0.033","0.0298","","","0.0775","0.0804","","","","","","1.055","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077787","6.667","0.002","12.774","0.002","12.848","0.002","66.04","0.01","75","0.02","74.88","0.02","950.7","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","N,N-Dimethylaminomethyl-trimethylstannane","","- C6 H17 N Sn -","- C6 H17 N Sn -","- C24 H68 N4 Sn4 -","4","2","","Mitzel, Norbert W.; Kiener, Christoph; Rankin, David W. H.","Are There Structurally Relevant Attractive Interactions between Nitrogen Atoms and Group 14 Elements in Their Aminomethyl Compounds?","Organometallics","1999","18","17","3437","","10.1021/om990166c","","","0.71073","MoKα","","0.03","0.0259","","0.0824","0.0694","","","","1.199","1.23","1.23","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077788","8.279","0.001","8.79","0.004","9.874","0.003","70.26","0.03","73.05","0.03","85.65","0.04","646.7","0.4","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","catena-Poly{[tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)]- -μ-η2-hexamethylbenzene}","","- C20 H18 F12 O8 Rh2 -","- C20 H18 F11.994 O8 Rh2 -","- C20 H18 F11.994 O8 Rh2 -","1","0.5","","Cotton, F. Albert; Dikarev, Evgeny V.; Stiriba, Salah-Eddine","Studies of Tetrakis(trifluoroacetate) Dirhodium. 2.†A Pi Complex of Hexamethylbenzene with Tetrakis(trifluoroacetate) Dirhodium(II,II)","Organometallics","1999","18","14","2724","","10.1021/om9901933","","","0.71073","MoKα","","0.0411","0.038","","0.0999","0.0957","","","","1.123","1.118","1.118","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077789","15.0938","0.0013","12.068","0.0009","9.0823","0.0007","90","","95.89","0.02","90","","1645.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Mo O3 Si2 -","- C12 H20 Mo O3 Si2 -","- C48 H80 Mo4 O12 Si8 -","4","1","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Crystal Structures, and Fluxional Behavior of Donor-Bridged Bis(silylene)molybdenum and -chromium Complexes","Organometallics","1999","18","14","2694","","10.1021/om990201f","","","0.71073","MoKα","","0.0605","0.0356","","0.094","0.0835","","","","1.052","1.079","1.079","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077790","16.6668","0.0015","8.8103","0.0007","12.9121","0.0012","90","","94.59","0.02","90","","1889.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H27 Mo N O2 Si2 -","- C15 H27 Mo N O2 Si2 -","- C60 H108 Mo4 N4 O8 Si8 -","4","1","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Crystal Structures, and Fluxional Behavior of Donor-Bridged Bis(silylene)molybdenum and -chromium Complexes","Organometallics","1999","18","14","2694","","10.1021/om990201f","","","0.71073","MoKα","","0.0725","0.0362","","0.0908","0.0786","","","","1.034","1.077","1.077","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077791","12.9","0.002","14.456","0.002","8.5349","0.0008","90","","90","","90","","1591.6","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H20 Cr O3 Si -","- C12 H20 Cr O3 Si2 -","- C48 H80 Cr4 O12 Si8 -","4","0.5","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Crystal Structures, and Fluxional Behavior of Donor-Bridged Bis(silylene)molybdenum and -chromium Complexes","Organometallics","1999","18","14","2694","","10.1021/om990201f","","","0.71073","MoKα","","0.1959","0.0654","","0.2056","0.1427","","","","1.023","1.151","1.151","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077792","16.1431","0.0019","16.1431","0.0019","32.538","0.003","90","","90","","90","","8479.4","1.6","173","2","173","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C194 H120 Cl4 Cu12 Pt6 -","- C194.08 H120 Cl4 Cu12 Pt6 -","- C388.16 H240 Cl8 Cu24 Pt12 -","2","0.125","","Charmant, Jonathan P. H.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Merino, Rosa I.; Moreno, M. Teresa; Orpen, A. Guy","Unprecedented Pt−Pt Bonded Trimer {[Pt2Cu4(C⋮CPh)8]}3Showing Unusual Near-Infrared Luminescence","Organometallics","1999","18","17","3353","","10.1021/om9902030","","","0.71073","MoKα","","0.0777","0.0503","","","0.1342","0.1414","","","","","","1.662","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077793","10.0462","0.0002","15.8421","0.0006","10.5005","0.0004","90","","95.245","0.001","90","","1664.19","0.1","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H22 F3 N3 O3 Pt S -","- C9 H22 F3 N3 O3 Pt S -","- C36 H88 F12 N12 O12 Pt4 S4 -","4","1","","Prokopchuk, Ernest M.; Jenkins, Hilary A.; Puddephatt, Richard J.","Stable Cationic Dimethyl(hydrido)platinum(IV) Complex","Organometallics","1999","18","15","2861","","10.1021/om990205k","","","0.71073","MoKα","","0.0559","0.0496","","0.1318","0.1222","","","","1.095","1.105","1.105","","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077794","15.4869","0.0018","15.7118","0.0045","16.8257","0.0011","94.928","0.012","115.609","0.008","110.508","0.015","3318.7","1.2","293","","293","","","","","","","","?","5","P -1","-P 1","2","","","","- C65 H38 Mo3 O15.5 P3 -","- C65 H38 Mo3 O15.5 P3 -","- C130 H76 Mo6 O31 P6 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Krattinger, Bénédicte; Neuburger, Markus; Zehnder, Margareta","Annular Heterometallic Stars†","Organometallics","1999","18","14","2565","","10.1021/om990226e","","","1.5418","CuKα","","","0.0465","","","0.0591","","","","","0.9908","0.9908","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077795","8.776","0.002","17.577","0.004","15.875","0.004","90","","96.1","0.02","90","","2434.9","1","143.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Bi Cl3 N O4 -","- C23 H21 Bi Cl3 N O4 -","- C92 H84 Bi4 Cl12 N4 O16 -","4","1","","Matano, Yoshihiro; Nomura, Hazumi; Shiro, Motoo; Suzuki, Hitomi","First Synthesis, Structure, and Reactivity of (Acylimino)triaryl-λ5-bismuthanes Stabilized byortho-Substituted Aryl Ligands","Organometallics","1999","18","14","2580","","10.1021/om990252c","","","0.7107","MoKα","","","0.0251","","","","0.0342","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4077796","12.997","0.005","14.39","0.003","16.705","0.008","90","","91.064","0.002","90","","3124","2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 1","","","- C36 H30 Fe2 O4 -","- C36 H30 Fe2 O4 -","- C144 H120 Fe8 O16 -","4","1","","Sakurai, Aizoh; Akita, Munetaka; Moro-oka, Yoshihiko","Synthesis and Characterization of the Dodecahexaynediyldiiron Complex, Fp*−(C⋮C)6−Fp* [Fp*= Fe(η5-C5Me5)(CO)2], the Longest Structurally Characterized Polyynediyl Complex","Organometallics","1999","18","16","3241","","10.1021/om990266i","","","0.7107","MoKα","","0.1323","0.0857","","0.1965","0.1712","","","","1.004","1.019","1.019","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077797","9.9165","0.0004","17.7521","0.0008","15.86","0.0007","90","","92.514","0.001","90","","2789.3","0.2","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 K N2 P Si2 -","- C25 H42 K N2 P Si2 -","- C100 H168 K4 N8 P4 Si8 -","4","1","","Clegg, William; Izod, Keith; O'Shaughnessy, Paul","First Structurally Authenticated Heavier Alkali Metal Phosphinomethanide","Organometallics","1999","18","16","2939","","10.1021/om990276j","","","0.71073","MoKα","","0.0448","0.0324","","","0.0814","0.0838","","","","","","1.043","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077798","18.807","0.002","18.927","0.002","21.214","0.002","90","","97.18","0.016","90","","7492.1","1.4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[η^2^-bis(trimethylsilyl)ethyne]-bis[η^5^(1-trimethylsilyl-2,3,4,5- tetramethyl-cyclopentadienyl)]-titanium(II)","","- C32 H60 Si4 Ti -","- C32 H60 Si4 Ti -","- C256 H480 Si32 Ti8 -","8","1","","Horáček, Michal; Kupfer, Volkmar; Thewalt, Ulf; Štěpnička, Petr; Polášek, Miroslav; Mach, Karel","Bis[η5-tetramethyl(trimethylsilyl)cyclopentadienyl]titanium(II) and Its π-Complexes with Bis(trimethylsilyl)acetylene and Ethylene","Organometallics","1999","18","18","3572","","10.1021/om990286k","","","0.71073","MoKα","","0.1143","0.0472","","","0.0924","0.1063","","","","","","0.73","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077799","14.087","0.003","11.5738","0.0017","16.137","0.003","90","","90","","90","","2631","0.8","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","[η^5^(1-trimethylsilyl-2,3,4,5-tetramethyl-cyclopentadienyl)]-titanium(II)","","- C24 H42 Si2 Ti -","- C24 H42 Si2 Ti -","- C96 H168 Si8 Ti4 -","4","0.25","","Horáček, Michal; Kupfer, Volkmar; Thewalt, Ulf; Štěpnička, Petr; Polášek, Miroslav; Mach, Karel","Bis[η5-tetramethyl(trimethylsilyl)cyclopentadienyl]titanium(II) and Its π-Complexes with Bis(trimethylsilyl)acetylene and Ethylene","Organometallics","1999","18","18","3572","","10.1021/om990286k","","","0.71073","MoKα","","0.0562","0.0491","","","0.147","0.1523","","","","","","1.084","","","","has coordinates","264764","2021-05-03","08:11:05",""
"4077800","17.241","0.005","8.309","0.002","18.878","0.005","90","","98.65","0.02","90","","2673.6","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[η^2^-ethene]-bis[η^5^(1-trimethylsilyl-2,3,4,5-tetramethyl- cyclopentadienyl)]-titanium(II)","","- C26 H46 Si2 Ti -","- C26 H46 Si2 Ti -","- C104 H184 Si8 Ti4 -","4","0.5","","Horáček, Michal; Kupfer, Volkmar; Thewalt, Ulf; Štěpnička, Petr; Polášek, Miroslav; Mach, Karel","Bis[η5-tetramethyl(trimethylsilyl)cyclopentadienyl]titanium(II) and Its π-Complexes with Bis(trimethylsilyl)acetylene and Ethylene","Organometallics","1999","18","18","3572","","10.1021/om990286k","","","0.71073","MoKα","","0.0776","0.0539","","","0.1206","0.1296","","","","","","1.047","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077801","12.6881","0.0003","26.5007","0.0004","23.6364","0.0005","90","","98.0317","0.0008","90","","7869.6","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H69 Cl2 F6 O4 P7 Pt3 Ru -","- C80 H69 Cl2 F6 O4 P7 Pt3 Ru -","- C320 H276 Cl8 F24 O16 P28 Pt12 Ru4 -","4","1","","Sterenberg, Brian T.; Jennings, Michael C.; Puddephatt, Richard J.","Complexes with Platinum−Ruthenium Bonds: Synthesis, Structure, and Fluxionality of Pt3Ru Cluster Complexes","Organometallics","1999","18","18","3737","","10.1021/om990325s","","","0.71073","MoKα","","0.0578","0.0397","","","0.093","0.1035","","","","","","1.034","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077802","12.0082","0.0015","18.663","0.003","18.131","0.003","90","","108.883","0.005","90","","3844.6","1","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H64 N4 Si3 Zr -","- C31 H64 N4 Si3 Zr -","- C124 H256 N16 Si12 Zr4 -","4","1","","Morton, Colin; Munslow, Ian J.; Sanders, Christopher J.; Alcock, Nathaniel W.; Scott, Peter","Triamidoamine Chemistry of Zirconium","Organometallics","1999","18","22","4608","","10.1021/om990347e","","","0.71073","MoKα","","0.0482","0.0316","","","0.0784","0.0846","","","","","","1.021","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077803","9.6998","0.0001","13.1685","0.0003","15.2304","0.0004","106.48","","103.554","0.001","95.821","0.001","1783.87","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H63 N5 Si3 Zr -","- C26 H63 N5 Si3 Zr -","- C52 H126 N10 Si6 Zr2 -","2","1","","Morton, Colin; Munslow, Ian J.; Sanders, Christopher J.; Alcock, Nathaniel W.; Scott, Peter","Triamidoamine Chemistry of Zirconium","Organometallics","1999","18","22","4608","","10.1021/om990347e","","","0.71073","MoKα","","0.0798","0.045","","0.1082","0.0929","","","","0.907","0.945","0.945","","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077804","12.4097","0.0002","15.6621","0.0001","18.2802","0.0002","90","","92.74","","90","","3548.91","0.07","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H57 Cl N4 Si3 Zr -","- C24 H57 Cl N4 Si3 Zr -","- C96 H228 Cl4 N16 Si12 Zr4 -","4","1","","Morton, Colin; Munslow, Ian J.; Sanders, Christopher J.; Alcock, Nathaniel W.; Scott, Peter","Triamidoamine Chemistry of Zirconium","Organometallics","1999","18","22","4608","","10.1021/om990347e","","","0.71073","MoKα","","0.1065","0.0595","","","0.0935","0.1112","","","","","","1.153","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077805","12.8111","0.0002","13.2448","0.0002","13.2748","0.0002","60.326","0.001","67.912","0.001","86.095","0.001","1793.84","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H56 N4 Si3 Zr -","- C26.5 H56 N4 Si3 Zr -","- C53 H112 N8 Si6 Zr2 -","2","1","","Morton, Colin; Munslow, Ian J.; Sanders, Christopher J.; Alcock, Nathaniel W.; Scott, Peter","Triamidoamine Chemistry of Zirconium","Organometallics","1999","18","22","4608","","10.1021/om990347e","","","0.71073","MoKα","","0.067","0.0527","","","0.1225","0.1377","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077806","18.239","0.006","15.971","0.005","23.062","0.007","90","","90","","90","","6718","4","294","2","294","2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","1,1,1-tricarbonyl-1-[2,6-(dimethylphenyl)isocyanide]-2-[2,6-(dimethylphenyl) imino]-3-(p-chlorobenzyl)-4-[2,6-(dimethylphenyl)]-4-azamangancylobut-3-ene","","- C37 H33 Cl Mn N3 O3 -","- C37 H33 Cl Mn N3 O3 -","- C296 H264 Cl8 Mn8 N24 O24 -","8","1","","Becker, Thomas M.; Alexander, John J.; Krause Bauer, Jeanette A.; Nauss, Jeffrey L.; Wireko, Fred C.","CNR and CO Insertion Reactions of 2,6-Xylyl Isocyanide withp-Chlorobenzylpentacarbonylmanganese","Organometallics","1999","18","26","5594","","10.1021/om9903644","","","1.54178","CuKα","","0.2871","0.0882","","","0.1925","0.2975","","","","","","1.198","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077807","10.3169","0.0005","19.6021","0.0008","17.1131","0.0008","90","","99.888","0.001","90","","3409.4","0.3","296","2","296","2","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","1,1,1,1-tetracarbonyl-2,3-bis[2,6-(dimethylphenyl)imino]-3-(p-chlorobenzyl) -4-(2,6-dimethylphenyl)-4-azamangancylopent-4-ene","","- C38 H33 Cl Mn N3 O4 -","- C38 H33 Cl Mn N3 O4 -","- C152 H132 Cl4 Mn4 N12 O16 -","4","1","","Becker, Thomas M.; Alexander, John J.; Krause Bauer, Jeanette A.; Nauss, Jeffrey L.; Wireko, Fred C.","CNR and CO Insertion Reactions of 2,6-Xylyl Isocyanide withp-Chlorobenzylpentacarbonylmanganese","Organometallics","1999","18","26","5594","","10.1021/om9903644","","","0.71073","MoKα","","0.1463","0.0543","","0.1269","","0.093","","","","","","1.035","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077808","11.841","0.002","12.16","0.002","15.94","0.003","97.18","0.03","105.32","0.03","98.4","0.03","2157.4","0.8","296","2","296","2","","","","","","","see text","6","P -1","-P 1","2","","tetracarbonyl-{1-[μ-O,O'-(2,6-diphenylmethyl)carbamato]-2-(p-chlorophenyl)} vinylmanganese tetracarbonyl-[1-(2,6-dimethyliminum)-2-(p-chlorobenzyl)]ethyl manganese","","- C41 H30 Cl2 Mn2 N2 O10 -","- C41 H30 Cl2 Mn2 N2 O10 -","- C82 H60 Cl4 Mn4 N4 O20 -","2","1","","Becker, Thomas M.; Alexander, John J.; Krause Bauer, Jeanette A.; Nauss, Jeffrey L.; Wireko, Fred C.","CNR and CO Insertion Reactions of 2,6-Xylyl Isocyanide withp-Chlorobenzylpentacarbonylmanganese","Organometallics","1999","18","26","5594","","10.1021/om9903644","","","1.54184","CuKα","","0.1226","0.0656","","0.1619","","0.1376","","","","","","0.961","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077809","11.637","0.006","18.452","0.002","17.227","0.003","90","","100.72","0.03","90","","3635","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H26.4 F6 O9.2 P2 Ru S2 -","- C30 H24 F6 O9.2 P2 Ru S2 -","- C120 H96 F24 O36.8 P8 Ru4 S8 -","4","1","","Mahon, Mary F.; Whittlesey, Michael K.; Wood, Paul T.","Synthesis and Structures of Organometallic Aqua Complexes of Ruthenium(II)","Organometallics","1999","18","20","4068","","10.1021/om990411s","","","0.71073","MoKα","","0.0953","0.059","","0.1885","0.1606","","","","0.97","1.118","1.118","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077810","11.719","0.001","23.365","0.003","13.851","0.002","90","","102.54","0.01","90","","3702.1","0.8","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33.6 F6 O11.8 P2 Ru S2 -","- C29 H30 F6 O11.8 P2 Ru S2 -","- C116 H120 F24 O47.2 P8 Ru4 S8 -","4","1","","Mahon, Mary F.; Whittlesey, Michael K.; Wood, Paul T.","Synthesis and Structures of Organometallic Aqua Complexes of Ruthenium(II)","Organometallics","1999","18","20","4068","","10.1021/om990411s","","","0.71069","MoKα","","0.0369","0.0302","","0.0835","0.0731","","","","0.981","1.018","1.018","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077811","20.543","0.0002","6.1256","0.0002","17.8378","0.0003","90","","97.206","0.001","90","","2226.95","0.08","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Si2 -","- C26 H24 Si2 -","- C104 H96 Si8 -","4","0.5","","Toltl, Nicholas P.; Stradiotto, Mark; Morkin, Tracy L.; Leigh, William J.","Homo- and Cross-[2+2]-Cycloaddition of 1,1-Diphenylsilene and 1,1-Diphenylgermene. Absolute Rate Constants for Dimerization and the Molecular Structures and Photochemistry of the Resulting 1,3-Dimetallacyclobutanes","Organometallics","1999","18","26","5643","","10.1021/om990447k","","","0.71073","MoKα","","0.0573","0.0396","","0.1012","0.0916","","","","1.033","1.077","1.077","","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077812","10.2432","0.0002","10.5455","0.0001","11.3542","0.0001","103.452","0.001","102.52","","93.074","0.001","1157.45","0.03","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 Ge2 -","- C26 H24 Ge2 -","- C52 H48 Ge4 -","2","1","","Toltl, Nicholas P.; Stradiotto, Mark; Morkin, Tracy L.; Leigh, William J.","Homo- and Cross-[2+2]-Cycloaddition of 1,1-Diphenylsilene and 1,1-Diphenylgermene. Absolute Rate Constants for Dimerization and the Molecular Structures and Photochemistry of the Resulting 1,3-Dimetallacyclobutanes","Organometallics","1999","18","26","5643","","10.1021/om990447k","","","0.71073","MoKα","","0.037","0.029","","0.0737","0.0693","","","","1.037","1.07","1.07","","","","","has coordinates","301830","2025-08-20","13:17:25",""
"4077813","6.1718","0.0009","14.406","0.003","25.481","0.004","81.446","0.002","85.695","0.003","88.502","0.003","2233.8","0.7","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Ge Si -","- C26 H24 Ge Si -","- C104 H96 Ge4 Si4 -","4","2","","Toltl, Nicholas P.; Stradiotto, Mark; Morkin, Tracy L.; Leigh, William J.","Homo- and Cross-[2+2]-Cycloaddition of 1,1-Diphenylsilene and 1,1-Diphenylgermene. Absolute Rate Constants for Dimerization and the Molecular Structures and Photochemistry of the Resulting 1,3-Dimetallacyclobutanes","Organometallics","1999","18","26","5643","","10.1021/om990447k","","","0.71073","MoKα","","0.1268","0.045","","0.0938","0.0751","","","","0.84","1.01","1.01","","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077814","31.167","0.002","10.995","0.0006","20.829","0.0012","90","","109.72","0.003","90","","6719.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 B20 Na Nd O6 Si2 -","- C50 H92 B20 Na Nd O6 Si2 -","- C200 H368 B80 Na4 Nd4 O24 Si8 -","4","0.5","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Cyclopentadienyl vs Indenyl Substituents. Organolanthanide Complexes and Biscarborane Compounds Derived from a Versatile Ligand, Me2Si(C9H7)(C2B10H11)","Organometallics","1999","18","22","4478","","10.1021/om990453g","","","0.71073","MoKα","","0.0806","0.0799","","","0.2219","0.2226","","","","","","1.035","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077815","25.345","0.0008","12.299","0.0003","17.6292","0.0006","90","","100.52","0.001","90","","5403","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H69 B20 Cl Er Na O3 Si2 -","- C38 H69 B20 Cl Er Na O3 Si2 -","- C152 H276 B80 Cl4 Er4 Na4 O12 Si8 -","4","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Cyclopentadienyl vs Indenyl Substituents. Organolanthanide Complexes and Biscarborane Compounds Derived from a Versatile Ligand, Me2Si(C9H7)(C2B10H11)","Organometallics","1999","18","22","4478","","10.1021/om990453g","","","0.71073","MoKα","","0.0865","0.0771","","0.2084","0.194","","","","1.053","1.06","1.06","","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077816","31.82","0.0014","20.445","0.0008","19.202","0.0008","90","","115.19","0.002","90","","11304.1","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H156 B20 Er2 Na2 O13 Si4 -","- C92 H156 B20 Er2 Na2 O13 Si4 -","- C368 H624 B80 Er8 Na8 O52 Si16 -","4","0.5","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Cyclopentadienyl vs Indenyl Substituents. Organolanthanide Complexes and Biscarborane Compounds Derived from a Versatile Ligand, Me2Si(C9H7)(C2B10H11)","Organometallics","1999","18","22","4478","","10.1021/om990453g","","","0.71073","MoKα","","0.0716","0.055","","0.1376","0.1291","","","","1.06","1.08","1.08","","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077817","13.108","0.0006","13.844","0.0009","15.449","0.001","93.218","0.002","107.62","0.004","102.27","0.005","2589","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H71 B20 Cl2 Er O6 -","- C28 H67 B20 Cl2 Er O6 -","- C56 H134 B40 Cl4 Er2 O12 -","2","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Cyclopentadienyl vs Indenyl Substituents. Organolanthanide Complexes and Biscarborane Compounds Derived from a Versatile Ligand, Me2Si(C9H7)(C2B10H11)","Organometallics","1999","18","22","4478","","10.1021/om990453g","","","0.71073","MoKα","","0.066","0.0589","","0.19","0.1728","","","","1.05","1.055","1.055","","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077818","13.116","0.0012","13.857","0.0012","15.356","0.0015","93.093","0.01","107.58","0.003","102.41","0.009","2577.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H63 B20 Cl2 O5 Y -","- C24 H59 B20 Cl2 O5 Y -","- C48 H118 B40 Cl4 O10 Y2 -","2","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Cyclopentadienyl vs Indenyl Substituents. Organolanthanide Complexes and Biscarborane Compounds Derived from a Versatile Ligand, Me2Si(C9H7)(C2B10H11)","Organometallics","1999","18","22","4478","","10.1021/om990453g","","","0.71073","MoKα","","0.1245","0.1079","","","0.2765","0.299","","","","","","0.991","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077819","10.321","0.002","7.397","0.002","23.885","0.004","90","","99.1","0.02","90","","1800.5","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dicarbonyl(eta5-cyclopentadienyl)(eta2-propadien)manganese","","- C10 H9 Mn O2 -","- C10 H9 Mn O2 -","- C80 H72 Mn8 O16 -","8","2","","Lentz, Dieter; Willemsen, Stefan","Coordination Chemistry of Fluorinated Allenes","Organometallics","1999","18","20","3962","","10.1021/om9904798","","","0.71069","MoKα","","0.0964","0.0535","","","0.1422","0.1621","","","","","","1.099","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4077820","6.6825","0.0005","8.1776","0.0006","9.0073","0.0014","90.633","0.009","96.43","0.009","104.234","0.007","473.73","0.09","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl(eta5-cyclopentadienyl)(eta2-1,1-difluoropropadiene)manganese","","- C10 H7 F2 Mn O2 -","- C10 H7 F2 Mn O2 -","- C20 H14 F4 Mn2 O4 -","2","1","","Lentz, Dieter; Willemsen, Stefan","Coordination Chemistry of Fluorinated Allenes","Organometallics","1999","18","20","3962","","10.1021/om9904798","","","0.71069","MoKα","","0.044","0.0318","","","0.0761","0.0801","","","","","","1.077","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077821","6.6656","0.0008","7.1814","0.0008","11.8028","0.0015","81.32","0.01","84.44","0.01","71.33","0.009","528.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl(eta5-cyclopentadienyl)(eta2-tetrafluoropropadiene)manganese","","- C10 H5 F4 Mn O2 -","- C10 H5 F4 Mn O2 -","- C20 H10 F8 Mn2 O4 -","2","1","","Lentz, Dieter; Willemsen, Stefan","Coordination Chemistry of Fluorinated Allenes","Organometallics","1999","18","20","3962","","10.1021/om9904798","","","0.71069","MoKα","","0.0433","0.0309","","","0.0816","0.0871","","","","","","1.042","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077822","9.7384","0.0006","13.1535","0.0008","19.0431","0.0012","70.298","0.002","81.523","0.002","68.833","0.002","2140.7","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H60 Li2 N4 P2 -","- C45 H60 Li2 N4 P2 -","- C90 H120 Li4 N8 P4 -","2","1","","Clegg, William; Izod, Keith; McFarlane, William; O'Shaughnessy, Paul","Regioselective Metalation of a Tertiary Phosphine. Solution and Solid-State Structures of an Unusual Aminobenzyllithium Complex","Organometallics","1999","18","20","3950","","10.1021/om9904910","","","0.71073","MoKα","","0.0958","0.063","","","0.1398","0.1603","","","","","","1.026","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25",""
"4077823","19.4834","0.0025","12.3344","0.001","19.7114","0.0018","90","","115.095","0.008","90","","4289.8","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 B9 Cl O3 P2 Re Ru -","- C41 H41 B9 Cl O3 P2 Re Ru -","- C164 H164 B36 Cl4 O12 P8 Re4 Ru4 -","4","1","","Ellis, Dianne D.; Jelliss, Paul A.; Stone, F. Gordon A.","Studies with the Rhenacarborane Cs[Re(CO)3(η5-7,8-C2B9H11)]: Surprising Reactivity with a Range of Metal Ligand Fragments†","Organometallics","1999","18","24","4982","","10.1021/om9905097","","","0.71073","MoKα","","0.0396","0.0249","","0.0517","0.0479","","","","0.971","1.012","1.012","","","","","has coordinates","296806","2024-12-09","16:06:24",""
"4077824","14.461","0.002","10.38","0.004","14.694","0.002","90","","114.266","0.013","90","","2010.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B9 O5 Re Ru -","- C12 H16 B9 O5 Re Ru -","- C48 H64 B36 O20 Re4 Ru4 -","4","1","","Ellis, Dianne D.; Jelliss, Paul A.; Stone, F. Gordon A.","Studies with the Rhenacarborane Cs[Re(CO)3(η5-7,8-C2B9H11)]: Surprising Reactivity with a Range of Metal Ligand Fragments†","Organometallics","1999","18","24","4982","","10.1021/om9905097","","","0.71073","MoKα","","0.0588","0.0391","","0.091","0.0834","","","","1.076","1.134","1.134","","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077825","9.2246","0.002","13.0494","0.0013","13.5816","0.0016","63.439","0.007","84.281","0.014","70.141","0.012","1372.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H26 B9 Cu O3 P Re -","- C23 H26 B9 Cu O3 P Re -","- C46 H52 B18 Cu2 O6 P2 Re2 -","2","1","","Ellis, Dianne D.; Jelliss, Paul A.; Stone, F. Gordon A.","Studies with the Rhenacarborane Cs[Re(CO)3(η5-7,8-C2B9H11)]: Surprising Reactivity with a Range of Metal Ligand Fragments†","Organometallics","1999","18","24","4982","","10.1021/om9905097","","","0.71073","MoKα","","0.021","0.0187","","0.0374","0.0371","","","","0.905","0.953","0.953","","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077826","24.581","0.003","8.802","0.002","28.129","0.004","90","","102.19","0.011","90","","5948.8","1.8","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H27 Ag B9 Cl O3 P Re -","- C23.5 H27 Ag B9 Cl O3 P Re -","- C188 H216 Ag8 B72 Cl8 O24 P8 Re8 -","8","1","","Ellis, Dianne D.; Jelliss, Paul A.; Stone, F. Gordon A.","Studies with the Rhenacarborane Cs[Re(CO)3(η5-7,8-C2B9H11)]: Surprising Reactivity with a Range of Metal Ligand Fragments†","Organometallics","1999","18","24","4982","","10.1021/om9905097","","","0.71073","MoKα","","0.0841","0.048","","0.0949","0.0827","","","","1.077","1.142","1.142","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077827","19.007","0.006","10.863","0.005","25.454","0.007","90","","96.15","0.02","90","","5225","3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H55 B9 Cl P3 Pd -","- C52 H55 B9 Cl P3 Pd -","- C208 H220 B36 Cl4 P12 Pd4 -","4","1","","Viñas, C.; Núñez, R.; Teixidor, F.; Sillanpää, R.; Kivekäs, R.","Formation of B−P Bonds through the Reaction ofnido-Monophosphinocarboranes with Palladium(II) Complexes. The First Example of a Chelating R2P−C−B−PR2Diphosphine","Organometallics","1999","18","23","4712","","10.1021/om990599f","","","0.71069","MoKα","","0.0896","0.0688","","","0.1309","0.1418","","","","","","1.05","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077828","21.575","0.004","14.91","0.003","12.837","0.003","90","","118.09","0.03","90","","3643","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(ν^5^-Cyclopentadienyl)(dicarbonyl)-[(3,4,5-ν)-2-anti-(3-cyanoindol-1-yl)- 5,6-dihydro-2H-pyran-5-yl]molybdenum","","- C21 H16 Mo N2 O3 -","- C21 H16 Mo N2 O3 -","- C168 H128 Mo8 N16 O24 -","8","1","","Bjurling, Emelie; Johansson, Maria H.; Andersson, Carl-Magnus","Synthesis ofN-(2-Pyranyl)- andN-Cyclohexylindole Derivatives via Stereoselective Addition of Indole Nucleophiles to Organomolybdenum Complexes","Organometallics","1999","18","26","5606","","10.1021/om9906060","","","0.71073","MoKα","","0.0508","0.0303","","","0.073","0.0785","","","","","","0.989","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077829","17.593","0.002","11.6592","0.0007","12.979","0.001","90","","90","","90","","2662.3","0.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H36 O2 Rh2 S2 Ti -","- C26 H36 O2 Rh2 S2 Ti -","- C104 H144 O8 Rh8 S8 Ti4 -","4","0.5","","Casado, Miguel A.; Pérez-Torrente, Jesús J.; Ciriano, Miguel A.; Edwards, Andrew J.; Lahoz, Fernando J.; Oro, Luis A.","Deprotonation of Cp2Ti(SH)2with Mononuclear Rhodium and Iridium Compounds: A New Route to Trinuclear Early−Late Heterobimetallic Complexes","Organometallics","1999","18","25","5299","","10.1021/om990623p","","","0.71073","MoKα","","0.0271","0.023","","0.062","","0.0588","","","1.078","","","1.08","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077830","9.379","0.003","14.912","0.008","18.946","0.005","90","","93.39","0.07","90","","2645.1","1.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Ir3 O8 S2 Ti -","- C21 H17 Ir3 O8 S2 Ti -","- C84 H68 Ir12 O32 S8 Ti4 -","4","1","","Casado, Miguel A.; Pérez-Torrente, Jesús J.; Ciriano, Miguel A.; Edwards, Andrew J.; Lahoz, Fernando J.; Oro, Luis A.","Deprotonation of Cp2Ti(SH)2with Mononuclear Rhodium and Iridium Compounds: A New Route to Trinuclear Early−Late Heterobimetallic Complexes","Organometallics","1999","18","25","5299","","10.1021/om990623p","","","0.71073","MoKα","","0.0645","0.0346","","0.0679","","0.0582","","","1.046","","","1.068","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077831","11.5987","0.0014","12.603","0.002","15.517","0.002","67.733","0.008","82.646","0.009","86.304","0.01","2081.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(dfepe)2Ir2(u,n1,n3-C4H6)(H)(u-H)","","","- C24 H14 F40 Ir2 P4 -","- C24 H14 F40 Ir2 P4 -","- C48 H28 F80 Ir4 P8 -","2","1","","Hoerter, Justin M.; Schnabel, R. Chris; Goodson, Patricia A.; Roddick, Dean M.","The Fate of a Bimetallic Ethylene Dimerization Catalyst: Synthesis and Structure of (dfepe)2Ir2(μ-η1:η3-C4H6)(μ-H)(H) (dfepe = (C2F5)2PCH2CH2P(C2F5)2)","Organometallics","1999","18","26","5717","","10.1021/om990659h","","","0.71073","MoKα","","0.0461","0.041","","0.1243","0.1177","","","","1.032","1.047","1.047","","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077832","18.88","0.002","11.94","0.002","19.253","0.002","90","","103.259","0.011","90","","4224.5","1","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 N4 O Zr -","- C50 H60 N4 O Zr -","- C200 H240 N16 O4 Zr4 -","4","1","","Bonomo, Lucia; Toraman, Gülsen; Solari, Euro; Scopelliti, Rosario; Floriani, Carlo","Porphodimethene−Zirconium: A New Entry into Zirconium Macrocycle Organometallic Chemistry","Organometallics","1999","18","25","5198","","10.1021/om990688s","","","0.71073","MoKα","","0.1993","0.0819","","","0.1704","0.234","","","","","","1.063","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077833","9.1942","0.0008","10.9092","0.0018","17.887","0.003","89.771","0.014","87.736","0.012","71.089","0.013","1695.9","0.4","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H53 N5 Zr -","- C39 H53 N5 Zr -","- C78 H106 N10 Zr2 -","2","1","","Bonomo, Lucia; Toraman, Gülsen; Solari, Euro; Scopelliti, Rosario; Floriani, Carlo","Porphodimethene−Zirconium: A New Entry into Zirconium Macrocycle Organometallic Chemistry","Organometallics","1999","18","25","5198","","10.1021/om990688s","","","0.71073","MoKα","","0.0813","0.072","","","0.1399","0.1451","","","","","","1.167","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4086031","8.3068","","22.468","","8.883","","90","","96.531","","90","","1647.14","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Fe2 Ru (C O)12","","- C12 Fe2 O11 Ru -","- C12 Fe2 O11 Ru -","- C48 Fe8 O44 Ru4 -","4","2","","Farrugia, L.J.; Gillon, A.L.; Braga, D.; Grepioni, F.","Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12 (n = 1,2) and the low-temperature phase of Fe3 (C O)12","Organometallics","1999","18","","5022","5033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086032","8.4","","11.42","","8.943","","90","","96.84","","90","","851.778","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Fe2 Ru (C O)12","","- C12 Fe2 O12 Ru -","- C12 Fe2 O12 Ru -","- C24 Fe4 O24 Ru2 -","2","0.5","","Farrugia, L.J.; Gillon, A.L.; Braga, D.; Grepioni, F.","Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n = 1,2) and the low-temperature phase of Fe3 (C O)12","Organometallics","1999","18","","5022","5033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086033","22.639","","12.8789","","11.6326","","90","","90","","90","","3391.66","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Fe (Ru2 (C O)12)","","- C12 Fe O12 Ru2 -","- C12 Fe O12 Ru2 -","- C96 Fe8 O96 Ru16 -","8","","","Farrugia, L.J.; Grepioni, F.; Gillon, A.L.; Braga, D.","Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12 (n = 1,2) and the low-temperature phase of Fe3 (C O)12","Organometallics","1999","18","","5022","5033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086034","11.65","","13.0643","","11.4808","","90","","90","","90","","1747.37","","","","","","","","","","","","","4","C c m b","-C 2ac 2ac","64","","Fe Ru2 (C O)12","","- C12 Fe O12 Ru2 -","- C12 Fe0.9998 O12 Ru1.9996 -","- C48 Fe3.9992 O48 Ru7.9984 -","4","","","Farrugia, L.J.; Grepioni, F.; Gillon, A.L.; Braga, D.","Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n = 1,2) and the low-temperature phase of Fe3 (C O)12","Organometallics","1999","18","","5022","5033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086062","8.3741","","22.711","","8.9331","","90","","96.682","","90","","1687.39","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Fe2 Ru (C O)12","","- C12 Fe2 O8 Ru -","- C12 Fe2 O8 Ru -","- C48 Fe8 O32 Ru4 -","4","2","","Farrugia, L.J.; Gillon, A.L.; Braga, D.; Grepioni, F.","Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n = 1,2) and the low-temperature phase of Fe3 (C O)12","Organometallics","1999","18","","5022","5033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086063","19.52","","33.408","","11.261","","90","","102.95","","90","","7156.79","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Fe3 (C O)12","","- C4.88889 Fe1.21467 O5.33333 -","- C4.88889 Fe1.21467 O5.33333 -","- C88 Fe21.864 O96 -","18","4.5","","Farrugia, L.J.; Gillon, A.L.; Grepioni, F.; Braga, D.","Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n = 1,2) and the low-temperature phase of Fe3 (C O)12","Organometallics","1999","18","","5022","5033","","","","","","","","","","","","","","","","","","","","","","has coordinates","145084","2020-10-21","18:00:00",""
"4089712","9.8267","0.0013","14.397","0.001","20.126","0.003","90","","90.13","0.01","90","","2847.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 Cl2 Fe N2 P2 Pd2 -","- C62 H52 Cl2 Fe N2 P2 Pd2 -","- C124 H104 Cl4 Fe2 N4 P4 Pd4 -","2","0.5","","Bosque, Ramon; López, Concepción; Solans, Xavier; Font-Bardia, Mercè","Heterodi- and Heterotrimetallic Compounds Containing Five-Membered Rings and σ(Pd−Csp2,ferrocene) Bonds. X-ray Crystal Structure of themeso-Form of [Pd2{Fe[(η5-C5H3)−C(CH3)N−C6H5]}2Cl2(PPh3)2]","Organometallics","1999","18","7","1267","","10.1021/om980834e","","","0.71069","MoKα","","0.0656","0.0548","","0.152","0.1374","","","","1.05","1.067","1.067","","","","","has coordinates","243727","2020-10-21","18:00:00",""
"4343641","8.499","","9.029","","11.714","","91.59","","98.98","","117.33","","783.698","","","","","","","","","","","","","4","P -1","-P 1","2","","H2 Os3 (C O)10","","- C10 H2 O10 Os3 -","- C10 H2 O10 Os3 -","- C20 H4 O20 Os6 -","2","1","","Broach, R.W.; Williams, J.M.","Interaction of hydrogen and hydrocarbons with transition metals. Neutron diffraction study of Di-mue-hydrido-decacarbonyltriosmium, (mue-H)2 Os3 (C O)10, containing a four-center, four-electron H2 Os2 bond","Inorganic Chemistry","1979","18","","314","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","144770","2020-10-21","18:00:00",""
"4343642","13.089","","13.089","","5.754","","90","","90","","90","","985.786","","","","","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","Cs2 Pt (C N)4 (N3)0.25 (H2 O)0.5","","- C4 Cs2 N4.555 Pt -","- C4 Cs2 N4.555 Pt -","- C16 Cs8 N18.22 Pt4 -","4","0.5","","Brown, R.K.; Vidusek, D.A.; Williams, J.M.","... Synthesis, crystal structure, and X-ray diffuse scattering studies of the new partially oxidized tetracyanoplatinate complex Cs2 (Pt (C N)4) (N3)0.25 * 0.5 H2 O","Inorganic Chemistry","1979","18","","801","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343643","10.104","","10.104","","5.743","","90","","90","","90","","586.308","","","","","","","","","","","","","7","P 4 m m","P 4 -2","99","","Rb2 Pt (C N)4 Cl0.3 (H2 O)3","","- C4 H6 Cl0.3 N4 O3 Pt Rb2 -","- C4 H6 Cl0.3 N4 O3 Pt Rb2 -","- C8 H12 Cl0.6 N8 O6 Pt2 Rb4 -","2","0.25","","Brown, R.K.; Williams, J.M.","... A reduction in platinum-chain dimerization in rubidium tetracyanoplatinate chloride (2:1:0.3) trihydrate, Rb2 (Pt (C N)4) Cl0.3 * 3.0(H2 O), at 110K as revealed by a neutron diffraction study","Inorganic Chemistry","1979","18","","1922","1925","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343648","7.823","","8.8678","","13.6583","","94.829","","103.028","","110.677","","849.607","","","","","","","","","","","","","5","P -1","-P 1","2","","H Cl Os3 (C O)10","","- C10 H Cl O10 Os3 -","- C10 H Cl O10 Os3 -","- C20 H2 Cl2 O20 Os6 -","2","1","","Churchill, M.R.; Lashewycz, R.A.","Structural studies on polynuclear osmium carbonyl hydrides. 12. Molecular geometry of mue-chloro-mue-hydrido-decacarbonyl triosmium, (mue-H) (mue-Cl) Os3 (C O)10, and characterization of the Os(mue-H) (mue-Cl)Os bridge","Inorganic Chemistry","1979","18","","1926","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343652","12.187","","12.187","","12.187","","90","","90","","90","","1810.05","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Co4 Na4 Si12 Al12 O48 (N O)3","","- Al12 Co4 N3 Na4 O51 Si12 -","- Al12 Co4 N3 Na4 O51 Si12 -","- Al12 Co4 N3 Na4 O51 Si12 -","1","0.0208333","","Cruz, W.V.; Leung, P.C.W.; Seff, K.","Crystal structures of nitric oxide and nitrogen dioxide sorption complexes of partially cobalt(II)-exchanged zeolite A","Inorganic Chemistry","1979","18","","1692","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","144941","2020-10-21","18:00:00",""
"4343653","12.143","","12.143","","12.143","","90","","90","","90","","1790.52","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Co4 Na4 Si12 Al12 O48 (N O2)2","","- Al12 Co4 N2 Na4 O52 Si12 -","- Al12 Co4 N2 Na4 O51.9984 Si12 -","- Al12 Co4 N2 Na4 O51.9984 Si12 -","1","0.0208333","","Cruz, W.V.; Leung, P.C.W.; Seff, K.","Crystal structures of nitric oxide and nitrogen dioxide sorption complexes of partially cobalt(II)-exchanged zeolite A","Inorganic Chemistry","1979","18","","1692","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","144942","2020-10-21","18:00:00",""
"4343662","10.349","","13.228","","6.864","","90","","90","","90","","939.658","","","","","","","","","","","","","5","P 21 n b","P -2bc 2a","33","","Co (N H3)5 O N O Cl2","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","1","","Grenthe, I.; Nordin, E.","Nitrito-nitro-linkage isomerization in the solid state. 2. A comparative study of the structures of nitrito- and nitropentaamminecobalt(III) dichloride","Inorganic Chemistry","1979","18","","1869","1874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343674","11.573","","8.25","","8.262","","90","","90.81","","90","","788.754","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fe2 (S O4)3","","- Fe2 O12 S3 -","- Fe2 O12 S3 -","- Fe8 O48 S12 -","4","1","","Long, G.J.; Thundathil, R.V.; Battle, P.; Longworth, G.; Cheetham, A.K.; Beveridge, D.","A study of anhydrous iron(III) sulfate by magnetic susceptibility, Moessbauer, and neutron diffraction technics","Inorganic Chemistry","1979","18","","624","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343697","15.944","","8.952","","15.394","","90","","106.31","","90","","2108.77","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","U O2 (O C (N H2)2)5 (N O3)2","","- C5 H20 N12 O13 U -","- C5 N12 O13 U -","- C20 N48 O52 U4 -","4","1","","Zalkin, A.; Ruben, H.; Templeton, D.H.","Structure of pentakis(urea)dioxouranium(VI) nitrate, U O2 (O C (N H2)2)5 (N O3)2","Inorganic Chemistry","1979","18","","519","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343738","11.93","","11.93","","7.93","","90","","90","","90","","1128.64","","","","","","","","","","","","","6","P 4/m n c","-P 4 2n","128","","K4 (Mo2 (S O4)4) Cl (H2 O)4","","- Cl H8 K4 Mo2 O20 S4 -","- Cl K4 Mo2 O20 S4 -","- Cl2 K8 Mo4 O40 S8 -","2","0.125","","Bino, A.; Cotton, F.A.","A new compound containing the tetrasulfatodimolybdenum anion with a bond order of 3.5","Inorganic Chemistry","1979","18","","1159","1161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343739","13.859","","13.012","","16.937","","90","","90","","90","","3054.3","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N H4)4 (Mo2 (N C S)8) (H2 O)4","","- C8 H24 Mo2 N12 O4 S8 -","- C8 H24 Mo2 N12 O4 S8 -","- C32 H96 Mo8 N48 O16 S32 -","4","0.5","","Bino, Avi; Cotton, F. Albert; Fanwick, Phillip E.","Preparation of Tetraammonium Octakis(isothiocyanato) dimolybdenum(II) and Structural Characterization of Two Crystalline Hydrates","Inorganic Chemistry","1979","18","12","3558","3562","10.1021/ic50202a052","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343740","10.706","","11.708","","14.346","","105.79","","93.37","","105.71","","1648.6","","","","","","","","","","","","","6","P -1","-P 1","2","","(N H4)4 (Mo2 (N C S)8) (H2 O)6","","- C8 H28 Mo2 N12 O6 S8 -","- C8 H28 Mo2 N12 O6 S8 -","- C16 H56 Mo4 N24 O12 S16 -","2","1","","Bino, Avi; Cotton, F. Albert; Fanwick, Phillip E.","Preparation of Tetraammonium Octakis(isothiocyanato) dimolybdenum(II) and Structural Characterization of Two Crystalline Hydrates","Inorganic Chemistry","1979","18","12","3558","3562","10.1021/ic50202a052","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343744","14.832","","12.242","","15.301","","90","","96.59","","90","","2759.9","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Te6 (As F6)4 (As F3)2","","- As6 F30 Te6 -","- As6 F30 Te6 -","- As24 F120 Te24 -","4","0.5","","Burns, R.C.; Slim, D.R.; Gillespie, R.J.; Luk, W.C.","Preparation, Spectroscopic Properties, and Crystal Structures of Te6 (As F6)4*(As F3)2 and Te6 (As F6)4*(S O2)2: A New Trigonal-Prismatic Cluster Cation, Te6(4+)","Inorganic Chemistry","1979","18","","3086","3094","","","","","","","","","","","","","","","","","","","","","","has coordinates","148616","2020-10-21","18:00:00",""
"4343745","9.962","","10.681","","16.599","","107.69","","92.4","","120.1","","1414.77","","","","","","","","","","","","","5","P -1","-P 1","2","","Te6 (As F6)4 (S O2)2","","- As4 F24 O4 S2 Te6 -","- As4 F24 O4 S2 Te6 -","- As8 F48 O8 S4 Te12 -","2","1","","Burns, R.C.; Gillespie, R.J.; Luk, W.C.; Slim, D.R.","Preparation, Spectroscopic Properties, and Crystal Structures of Te6 (As F6)4*(As F3)2 and Te6 (As F6)4*(S O2)2: A New Trigonal-Prismatic Cluster Cation, Te6(4+)","Inorganic Chemistry","1979","18","","3086","3094","","","","","","","","","","","","","","","","","","","","","","has coordinates","148617","2020-10-21","18:00:00",""
"4343750","7.704","","11.779","","6.585","","104.86","","102.28","","84.27","","563.709","","","","","","","","","","","","","4","P -1","-P 1","2","","Fe2 (C O)6 (Se2)","","- C6 Fe2 O6 Se2 -","- C6 Fe2 O6 Se2 -","- C12 Fe4 O12 Se4 -","2","1","","Campana, C.F.; Yip, K.L.F.; Dahl, L.F.","Stereochemical Analysis of Fe2 (C O)6 (Mue-Se2) : A Diselenium Analogue of Fe2 (C O)6 (Mue-S2)1","Inorganic Chemistry","1979","18","","3060","3064","","","","","","","","","","","","","","","","","","","","","","has coordinates","148633","2020-10-21","18:00:00",""
"4343751","17.491","","7.819","","4.838","","90","","90","","90","","661.655","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S4 N5 Cl","","- Cl N5 S4 -","- Cl N5 S4 -","- Cl4 N20 S16 -","4","0.5","","Chivers, T.; Laidlaw, W.G.; Fielding, L.; Trsic, M.","Synthesis and Structure of Salts of the Bicyclic Sulfur-Nitrogen Cation S4 N5(+) and a Comparison of the Electronic Structures of the Tetrasulfur Pentanitride(1+) and -(1-) Ions","Inorganic Chemistry","1979","18","","3379","3387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343754","8.5736","","14.0277","","14.8818","","95.606","","92.801","","98.347","","1758.76","","","","","","","","","","","","","5","P -1","-P 1","2","","H Br Os3 (C O)10","","- C10 H Br O10 Os3 -","- C10 H0.5 Br O10 Os3 -","- C40 H2 Br4 O40 Os12 -","4","2","","Churchill, M.R.; Lashewycz, R.A.","Structural Studies on Polynuclear Osmium Carbonyl Hydrides. 13. 1,2 Molecular Geometry of mue-Bromo-mue-hydrido-decacarbonyltriosmium, (mue-H) (mue-Br) Os3 (C O)10, and a Comparison of Os (mue-H) (mue-X) Os Bridges","Inorganic Chemistry","1979","18","","3261","3267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343757","8.112","","8.287","","12.891","","79.56","","80.88","","69.52","","794.109","","","","","","","","","","","","","6","P -1","-P 1","2","","Fe2 (C O)6 (P (C F3) H)2","","- C8 H2 F6 Fe2 O6 P2 -","- C8 H2 F6 Fe2 O6 P2 -","- C16 H4 F12 Fe4 O12 P4 -","2","1","","Clegg, W.; Morton, S.","Preparation and Isomerism of Bis(mue-(trifluoromethyl)phosphido)-hexacarbonyldiiron, Fe2 (C O)6 (P (C F3) (H)2. Crystal Structure of The Trans Isomer","Inorganic Chemistry","1979","18","","1189","1192","","","","","","","","","","","","","","","","","","","","","","has coordinates","148702","2020-10-21","18:00:00",""
"4343781","21.937","","14.239","","22.177","","90","","96.95","","90","","6876.33","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N H4)7 (H2 As W18 O60) (H2 O)16","","- As H62 N7 O76 W18 -","- As N7 O75 W18 -","- As4 N28 O300 W72 -","4","0.5","","Jeannin, Y.P.; Martin-Frere, J.","X-ray Study of (H H4)7 (H2 As W18 O60)*(H2 O)16: First Example of a Heteropolyanion Containing Protons and Arsenic(III)","Inorganic Chemistry","1979","18","","3010","3014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343787","6.105","","8.792","","18.06","","90","","91.58","","90","","969.005","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(S4 N3) (Br3)","","- Br3 N3 S4 -","- Br3 N3 S4 -","- Br12 N12 S16 -","4","1","","Mayerle, J.J.; Wolmershaeuser, G.; Street, G.B.","Structure of Thiotrithiazyl Tribromide (S4 N3) (Br3): A Low Molecular Weight Sulfur-Nitrogen Compound Containing a Trihalide Counterion","Inorganic Chemistry","1979","18","","1161","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","149523","2020-10-21","18:00:00",""
"4344135","4.2","","4.2","","5.398","","90","","90","","120","","82.464","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","V Co Sb","","- Co Sb V -","- Co Sb V -","- Co2 Sb2 V2 -","2","0.0833333","","Noda, Y.; Shimada, M.; Koizumi, M.","Synthesis of High-Pressure Phases of V Co Sb and V Fe Sb with a Ni2 In (B82) Type Structure","Inorganic Chemistry","1979","18","","3244","3246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344136","4.233","","4.233","","5.398","","90","","90","","120","","83.765","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","V Fe Sb","","- Fe Sb V -","- Fe Sb V -","- Fe2 Sb2 V2 -","2","0.0833333","","Noda, Y.; Shimada, M.; Koizumi, M.","Synthesis of High-Pressure Phases of V Co Sb and V Fe Sb with a Ni2 In (B82) Type Structure","Inorganic Chemistry","1979","18","","3244","3246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344193","8.751","","11.217","","17.938","","90","","90.92","","90","","1760.57","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs2 (Mo2 (H P O4)4 (H2 O)2)","","- Cs2 H8 Mo2 O18 P4 -","- Cs2 Mo2 O18 P4 -","- Cs8 Mo8 O72 P16 -","4","1","","Bino, A.; Cotton, F.A.","The tetrakis(hydrogen phosphato)dimolybdenum ion (Mo2 (H P O4)4). compounds with a metal-metal triple bond which are easily prepared and permanently stable in air","Inorganic Chemistry","1979","18","","3562","3565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344201","9.17","","11.5","","11.97","","90","","109","","90","","1193.53","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","osmium pentachloride","","- Cl5 Os -","- Os -","- Os8 -","8","2","","Burns, Robert C.; O'Donnell, Thomas A.","Preparation and Characterization of Osmium Pentachloride, a New Binary Chloride of Osmium","Inorganic Chemistry","1979","18","11","3081","3086","10.1021/ic50201a027","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344369","14.895","","15.453","","16.399","","90","","153.81","","90","","1665.92","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- B10 H13 -","- B10 H13 -","- B80 H104 -","8","2","","Brown, G.M.; Pinson, J.W.; Ingram, L.L.jr.","Crystal and molecular structure of 1,5'-bidecaboran(14)yl: a new borane from .gamma. irradiation of decaborane(14)","Inorganic Chemistry","1979","18","","1951","1956","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344524","3.379","","3.379","","38.713","","90","","90","","120","","382.793","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Zr1.05 Cl2","","- Cl2 Zr1.05 -","- Cl2 Zr1.04667 -","- Cl12 Zr6.28 -","6","0.5","","Cisar, A.; Daake, R.L.; Corbett, J.D.","The zirconium dichloride phase region. Synthesis, structure, and photoelectron spectral studies of 3R Zr Cl2, 6T-Zr1.05 Cl2 and related phases","Inorganic Chemistry","1979","18","","836","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","173827","2020-10-21","18:00:00",""
"4513733","10.1264","0.0007","11.3087","0.0007","11.5564","0.0011","67.874","0.007","65.23","0.008","83.135","0.005","1112","0.18","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O2 -","- C29 H21 N3 O2 -","- C58 H42 N6 O4 -","2","1","","Liao, Wen-Li; Li, Shi-Qiang; Wang, Jun; Zhang, Zhi-Yu; Yang, Zhi-Wei; Xu, Di; Xu, Chuan; Lan, Hai-Tao; Chen, Zhong-Zhu; Xu, Zhi-Gang","An Efficient and Facile Method for the Synthesis of Benzimidazoisoquinoline Derivatives via a Multicomponent Reaction.","ACS combinatorial science","2016","18","1","65","69","10.1021/acscombsci.5b00145","","x-ray","0.71073","MoKα","","0.0839","0.0446","","","0.0822","0.0981","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513859","5.9268","0.0013","19.691","0.005","16.257","0.004","90","","97.006","0.006","90","","1883.1","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming","A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.","ACS combinatorial science","2016","18","3","162","169","10.1021/acscombsci.5b00186","","","0.71073","MoKα","","0.0622","0.0412","","","0.0923","0.1015","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513860","9.8984","0.0005","10.7623","0.0005","13.0612","0.0006","72.798","0.003","81.612","0.003","70.559","0.003","1251.64","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C56 H62 N6 O6 -","2","1","","Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming","A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.","ACS combinatorial science","2016","18","3","162","169","10.1021/acscombsci.5b00186","","","0.71073","MoKα","","0.1211","0.0637","","","0.1738","0.2115","","","","","","1.056","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4513861","20.7124","0.001","20.7124","0.001","36.593","0.003","90","","90","","90","","15698.5","1.7","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C23 H28 O4 -","- C23 H28 O4 -","- C736 H896 O128 -","32","2","","Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming","A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.","ACS combinatorial science","2016","18","3","162","169","10.1021/acscombsci.5b00186","","","0.71073","MoKα","","0.0602","0.0427","","","0.1043","0.116","","","","","","1.008","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513896","8.829","0.0009","9.7497","0.001","11.1413","0.0012","80.054","0.002","72.419","0.002","72.098","0.002","866.6","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-(3,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydro-1H- pyrazolo[3,4-b]quinolin-1-yl)benzonitrile","4-(3,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydro-1H- pyrazolo[3,4-b]quinolin-1-yl)benzonitrile","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C40 H36 N8 O2 -","2","1","","Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith","Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.","ACS combinatorial science","2016","18","5","262","270","10.1021/acscombsci.6b00003","","","0.71073","MoKα","","0.0513","0.0449","","","0.1286","0.1353","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513897","14.3841","0.0009","14.7846","0.0008","16.9692","0.0011","91.767","0.011","96.391","0.014","92.148","0.012","3581.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4'-(2,4-Dichlorophenyl)-1',3''-dimethyl-1''-phenyl-7'' ,8''-dihydrodispiro[indoline-3,2'-pyrrolidine-3', 6''-pyrazolo[3,4-b]quinoline]-2,5''(1''H)-dione","4'-(2,4-Dichlorophenyl)-1',3''-dimethyl-1''-phenyl-7'' ,8''-dihydrodispiro[indoline-3,2'-pyrrolidine-3', 6''-pyrazolo[3,4-b]quinoline]-2,5''(1''H)-dione","","- C34 H27 Cl2 N5 O2 -","- C34 H27 Cl2 N5 O2 -","- C136 H108 Cl8 N20 O8 -","4","2","","Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith","Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.","ACS combinatorial science","2016","18","5","262","270","10.1021/acscombsci.6b00003","","","0.71073","MoKα","","0.1359","0.0964","","","0.2703","0.2947","","","","","","1.114","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513898","13.6926","0.001","18.4002","0.0013","22.7816","0.0017","90","","99.366","0.001","90","","5663.2","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-methyl-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","3-Methyl-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C272 H240 N48 O16 -","16","4","","Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith","Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.","ACS combinatorial science","2016","18","5","262","270","10.1021/acscombsci.6b00003","","","0.71073","MoKα","","0.0989","0.0611","","","0.1649","0.1988","","","","","","1.011","","","","has coordinates,has disorder","183486","2020-10-21","18:00:00",""
"4513909","17.6665","0.0007","8.8044","0.0003","12.3437","0.0005","90","","98.647","0.0019","90","","1898.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O S3 -","- C17 H24 N2 O S3 -","- C68 H96 N8 O4 S12 -","4","1","","Schlüter, Torben; Ziyaei Halimehjani, Azim; Wachtendorf, Daniel; Schmidtmann, Marc; Martens, Jürgen","Four-Component Reaction for the Synthesis of Dithiocarbamates Starting from Cyclic Imines.","ACS combinatorial science","2016","18","8","456","460","10.1021/acscombsci.6b00029","","","0.71073","MoKα","","0.0321","0.0282","","","0.076","0.0787","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513916","8.7284","0.0017","19.229","0.004","27.468","0.006","90","","90","","90","","4610.2","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C208 H256 N16 O8 -","8","1","","Zheng, Sichao; Zhong, Shufang; Chen, Zhipeng; Chen, Wenhua; Zhu, Qiuhua","Efficient Synthesis of a Series of Novel Octahydroquinazoline-5-ones via a Simple on-Water Urea-Catalyzed Chemoselective Five-Component Reaction.","ACS combinatorial science","2016","18","8","475","481","10.1021/acscombsci.6b00038","","","0.71073","MoKα","","0.071","0.0519","","","0.1716","0.192","","","","","","1.121","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513937","13.378","0.001","9.446","0.0007","15.071","0.0011","90","","99.42","0.002","90","","1878.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C100 H72 O12 -","4","1","","Dong, Haoxun; Xu, Lubin; Li, Shuai-Shuai; Wang, Liang; Shao, Chang-Lun; Xiao, Jian","Facile Synthesis of Azaarene-Substituted Hydroxycoumarins Possessing High Biological Activities via Three-Component C(sp(3))-H Functionalization.","ACS combinatorial science","2016","18","9","604","610","10.1021/acscombsci.6b00082","","","1.54178","CuKα","","0.0443","0.0425","","","0.1154","0.1174","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513957","11.3607","0.0007","30.338","0.002","8.2619","0.0006","90","","102.399","0.004","90","","2781.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl2 N5 O2 -","- C24 H31 Cl2 N5 O2 -","- C96 H124 Cl8 N20 O8 -","4","1","","Londregan, Allyn T.; Piotrowski, David W.; Wei, Liuqing","Synthesis of Pyridazine-Based α-Helix Mimetics.","ACS combinatorial science","2016","18","10","651","654","10.1021/acscombsci.6b00111","","","1.54178","CuKα","","0.0616","0.0556","","","0.1427","0.1468","","","","","","0.969","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513959","14.8222","0.0008","13.9414","0.0007","11.4583","0.0005","90","","108.559","0.002","90","","2244.64","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O2 S -","- C24 H28 N4 O2 S -","- C96 H112 N16 O8 S4 -","4","1","","Chen, Chan-Yu; Barve, Indrajeet J.; Sun, Chung-Ming","One-Pot Three-Component Synthesis of 2-Imino-1,3-Thiazolines on Soluble Ionic Liquid Support.","ACS combinatorial science","2016","18","10","638","643","10.1021/acscombsci.6b00106","","","0.71073","MoKα","","0.0599","0.0471","","","0.1296","0.1433","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514317","14.7088","0.0003","14.7088","0.0003","14.7088","0.0003","90","","90","","90","","3182.23","0.11","301","2","301","2","","","","","","","","2","F d -3 m","-F 4vw 2vw 3","227","Type II silicon clathrate","24 sodium 136 silicon","","- Na24 Si136 -","- Na24.0016 Si136 -","- Na24.0016 Si136 -","1","","","Morito, Haruhiko; Shimoda, Masashi; Yamane, Hisanori; Fujiwara, Kozo","Crystal Growth Conditions of Types I and II Na‒Si Clathrates by Evaporation of Na from a Na‒Si‒Sn Solution","Crystal Growth & Design","2017","18","1","351","","10.1021/acs.cgd.7b01342","","","0.71073","MoKα","","0.0082","0.0077","","","0.0268","0.0279","","","","","","1.236","","","","has coordinates","206138","2020-10-21","18:00:00",""
"5000010","13.991","","14.786","","5.116","","90","","90","","90","","1058.35","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","A04520","S. Furberg,; C. S. Peterson; C. Rømming","A refinement of the crystal structure of cytidine","Acta Crystallographica","1965","18","","313","320","10.1107/S0365110X65000749","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:29",""
"5000097","15.838","0.001","15.838","0.001","7.1032","0.0002","90","","90","","120","","1543.1","","","","","","","","","","","","","12","R 3 m :H","R 3 -2""","160","","Sodium manganese calcium lithium alumoborosilicate fluoride hydroxide *","Elbaite","- Al22.78 B9.11 Ca0.42 F1.81 Fe0.09 H8.62 K0.01 Li3.74 Mn0.84 Na1.69 O91.19 Si17.94 -","- Al22.7799 B9.1095 Ca0.42 F1.8099 Fe0.09 H17.8191 K0.0099 Li3.7395 Mn0.8397 Na1.68 O91.1901 Si17.9406 -","- Al22.7799 B9.1095 Ca0.42 F1.8099 Fe0.09 H17.8191 K0.0099 Li3.7395 Mn0.8397 Na1.68 O91.1901 Si17.9406 -","1","0.0555556","","Donnay, G; Barton, R","Refinement of the Crystal Structure of Elbaite and the Mechanism of Tourmaline Solid Solution","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","18","","273","286","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000314","10.52","0.003","18.475","0.005","26.692","0.007","90","","98.13","0.015","90","","5135.5","2.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H87 N O6 W2 -","- C47 H87 N O6 W2 -","- C188 H348 N4 O24 W8 -","4","1","","Barry, Jane T.; Bollinger, John C.; Chisholm, Malcolm H.; Glasgow, Katherine C.; Huffman, John C.; Lucas, Eric A.; Lubkovsky, Emil B.; Streib, William E.","Preparation and Characterization of 1,3-Butadiene and Isoprene Complexes, W~2~(OCH~2~^t^Bu)~6~(diene)(py), and Studies of the Selective Hydrogenation of 1,3-Dienes","Organometallics","1999","18","12","2300","2308","10.1021/om990059i","","","0.71073","MoKα","","0.0908","0.0471","","0.1145","0.0945","","","","1.071","1.173","1.173","","","","","has coordinates,has disorder","301844","2025-08-21","10:11:31",""
"6000034","6.804","0.0003","11.7456","0.0005","6.3187","0.0003","90","","110.851","0.003","90","","471.9","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Cl3 Er -","- Cl12 Er4 -","- Cl12 Er4 -","","","","Krämer, K. W.; Güdel, H. U.; Fischer, P.; Fauth, F.; Fernandez-Diaz, M. T.; Hauß, T.","Triangular antiferromagnetic order in the honeycomb layer lattice of ErCl~3~","European Physical Journal B","2000","18","","39","47","10.1007/s100510070075","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000725","13.71","","10.715","","6.947","","90","","90","","90","","1020.53","","","","","","","","","","","","","4","P n m a","","","","","","- Br3 Co H15 N5 -","","","","","","Wu, H. X.; Ma, L. D.; Shen, X. L.; Shi, G. S.","Research on obtaining the refined X-ray powder diffraction pattern and indices of [Co(NH3)(5)Br]Br2","Gaodeng Xuexiao Huaxue Xuebao","1997","18","","1414","1419","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7157160","14.89204","0.00007","17.25623","0.0001","28.41877","0.00013","90","","98.1145","0.0004","90","","7229.95","0.06","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C87 H79 N6 O7 -","- C87 H79 N6 O7 -","- C348 H316 N24 O28 -","4","1","","Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.","Organic & biomolecular chemistry","2020","18","2","230","236","10.1039/c9ob02022e","","","1.54187","CuKα","","0.072","0.0654","","","0.1818","0.1884","","","","","","1.028","","","","has coordinates,has disorder","247821","2020-10-21","18:00:00",""
"7157161","9.47394","0.00008","19.77494","0.0001","19.02693","0.00013","90","","101.684","0.0008","90","","3490.77","0.04","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 N3 O3 -","- C45 H39 N3 O3 -","- C180 H156 N12 O12 -","4","1","","Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.","Organic & biomolecular chemistry","2020","18","2","230","236","10.1039/c9ob02022e","","","1.54187","CuKα","","0.0407","0.0367","","","0.0935","0.0963","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157209","19.181","0.006","7.746","0.003","12.126","0.004","90","","91.846","0.008","90","","1800.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Li, Yan; Guo, Juan; Lu, Xunbo; Zhong, Fangrui","One-step assembly of alkoxypyrroloindolines via iodine-catalyzed alkoxycyclization of indole derivatives.","Organic & biomolecular chemistry","2019","18","1","32","35","10.1039/c9ob02287b","","","0.71073","MoKα","","0.1509","0.0799","","","0.1827","0.2228","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157211","6.44427","0.00008","25.748","0.0003","31.5946","0.0004","90","","90","","90","","5242.4","0.11","292.2","0.4","292.2","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O2 -","- C30 H48 O2 -","- C240 H384 O16 -","8","2","","Yu, Chun-Xue; Wang, Ru-Yue; Qi, Feng-Ming; Su, Pan-Jie; Yu, Yi-Fan; Li, Bing; Zhao, Ye; Zhi, De-Juan; Zhang, Zhan-Xin; Fei, Dong-Qing","Eupulcherol A, a triterpenoid with a new carbon skeleton from Euphorbia pulcherrima, and its anti-Alzheimer's disease bioactivity.","Organic & biomolecular chemistry","2019","18","1","76","80","10.1039/c9ob02334h","","","1.54184","CuKα","","0.0496","0.043","","","0.1059","0.1105","","","","","","1.02","","","","has coordinates,has disorder","247804","2020-10-21","18:00:00",""
"7157214","11.118","0.002","7.8299","0.0016","11.76","0.002","90","","111.37","0.03","90","","953.4","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Yang, Lin-Feng; Shimadate, Yuna; Kato, Atsushi; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Synthesis and glycosidase inhibition of N-substituted derivatives of 1,4-dideoxy-1,4-imino-d-mannitol (DIM).","Organic & biomolecular chemistry","2020","18","5","999","1011","10.1039/c9ob02029b","","","0.71073","MoKα","","0.0323","0.0318","","","0.0758","0.0763","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157215","9.624","0.0003","12.1733","0.0004","13.1933","0.0004","73.415","0.001","72.876","0.001","78.771","0.001","1405.32","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H29 N -","- C39 H29 N -","- C78 H58 N2 -","2","1","","Wei, Hao-Zhao; Yu, Liu-Zhu; Shi, Min","Lewis or Brønsted acid-catalysed reaction of propargylic alcohol-tethered alkylidenecyclopropanes with indoles and pyrroles for the preparation of polycyclic compounds tethered with indole or pyrrole motif.","Organic & biomolecular chemistry","2019","18","1","135","139","10.1039/c9ob02211b","","","0.71073","MoKα","","0.0576","0.0421","","","0.1013","0.1136","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157231","10.4124","0.0003","11.3067","0.0003","11.3573","0.0003","91.46","0.002","98.011","0.002","104.143","0.002","1281.44","0.06","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H67 N3 O15 -","- C50 H67 N3 O15 -","- C50 H67 N3 O15 -","1","1","","Bera, Kalisankar; Ayyagari, Narasimham; Satam, Nishikant; Namboothiri, Irishi N. N.","Stereoselective synthesis of hydrazinodihydrofurans via cascade Michael addition-substitution involving the reaction of curcumin and other β-dicarbonyls with α-hydrazinonitroalkenes.","Organic & biomolecular chemistry","2019","18","1","140","153","10.1039/c9ob01974j","","x-ray","1.54184","CuKα","","0.0721","0.0626","","","0.1638","0.1793","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157232","6.9499","0.001","9.8422","0.0014","15.3854","0.0019","87.986","0.005","87.262","0.005","69.331","0.005","983.3","0.2","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H16 Cl3 N5 O2 -","- C19 H16 Cl3 N5 O2 -","- C38 H32 Cl6 N10 O4 -","2","1","","Lassagne, Frédéric; Duguépéroux, Camille; Roca, Carlos; Perez, Concepcion; Martinez, Ana; Baratte, Blandine; Robert, Thomas; Ruchaud, Sandrine; Bach, Stéphane; Erb, William; Roisnel, Thierry; Mongin, Florence","From simple quinoxalines to potent oxazolo[5,4-f]quinoxaline inhibitors of glycogen-synthase kinase 3 (GSK3).","Organic & biomolecular chemistry","2019","18","1","154","162","10.1039/c9ob02002k","","x-ray","0.71073","MoKα","","0.0956","0.0914","","","0.2237","0.2255","","","","","","1.198","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157233","15.2934","0.0007","5.9374","0.0003","19.2117","0.0011","90","","101.042","0.002","90","","1712.19","0.15","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N6 O S -","- C18 H18 N6 O S -","- C72 H72 N24 O4 S4 -","4","1","","Lassagne, Frédéric; Duguépéroux, Camille; Roca, Carlos; Perez, Concepcion; Martinez, Ana; Baratte, Blandine; Robert, Thomas; Ruchaud, Sandrine; Bach, Stéphane; Erb, William; Roisnel, Thierry; Mongin, Florence","From simple quinoxalines to potent oxazolo[5,4-f]quinoxaline inhibitors of glycogen-synthase kinase 3 (GSK3).","Organic & biomolecular chemistry","2019","18","1","154","162","10.1039/c9ob02002k","","x-ray","0.71073","MoKα","","0.0506","0.0384","","","0.0948","0.1021","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157234","32.8955","0.0019","11.8195","0.0008","19.8693","0.0014","90","","115.421","0.0019","90","","6977.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N2 O4 -","- C44 H38 N2 O4 -","- C352 H304 N16 O32 -","8","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1096","0.0694","","","0.1695","0.1951","","","","","","1.035","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157235","11.3472","0.0008","20.551","0.0015","30.017","0.002","90","","90","","90","","6999.9","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 F N2 O4 -","- C44 H37 F N2 O4 -","- C352 H296 F8 N16 O32 -","8","2","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.114","0.0691","","","0.1726","0.194","","","","","","1.138","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157236","10.8744","0.0011","13.9883","0.0015","14.7217","0.0014","101.625","0.003","106.436","0.003","93.568","0.004","2086.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H45 Cl N2 O7 -","- C48 H45 Cl N2 O7 -","- C96 H90 Cl2 N4 O14 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1094","0.0557","","","0.1147","0.1347","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157237","9.0089","0.0011","10.2895","0.0014","18.456","0.003","81.638","0.004","81.362","0.004","78.888","0.004","1647.7","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O5 -","- C39 H35 Cl N2 O5 -","- C78 H70 Cl2 N4 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0759","0.0504","","","0.1204","0.1346","","","","","","1.022","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157238","9.6247","0.0006","17.7668","0.0011","18.9536","0.0011","90","","91.7723","0.0019","90","","3239.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl N O5 -","- C36 H28 Cl N O5 -","- C144 H112 Cl4 N4 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1639","0.0775","","","0.2097","0.2575","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157239","9.1125","0.0004","12.0056","0.0006","26.1996","0.0012","90","","94.5219","0.0015","90","","2857.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N O5 -","- C36 H29 N O5 -","- C144 H116 N4 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1101","0.0558","","","0.1139","0.1344","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157240","10.8649","0.0009","12.2568","0.001","27.648","0.002","84.114","0.003","78.954","0.003","86.279","0.003","3590.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O5 -","- C39 H35 Cl N2 O5 -","- C156 H140 Cl4 N8 O20 -","4","2","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.156","0.0755","","","0.1689","0.2002","","","","","","1.025","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157241","11.4828","0.0008","12.9792","0.0008","14.6856","0.001","63.894","0.002","73.231","0.002","72.3116","0.0019","1841.6","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H37 N5 O7 -","- C42 H37 N5 O7 -","- C84 H74 N10 O14 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1074","0.0572","","","0.117","0.1365","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157242","9.9805","0.0009","10.287","0.0009","15.3526","0.0014","72.135","0.003","76.008","0.003","82.784","0.003","1453.5","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N O5 -","- C36 H29 N O5 -","- C72 H58 N2 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1162","0.0628","","","0.1469","0.1721","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157243","14.5005","0.0008","16.8752","0.0011","14.5126","0.001","90","","118.619","0.0017","90","","3117.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 Cl N4 O4 -","- C35 H31 Cl N4 O4 -","- C140 H124 Cl4 N16 O16 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1453","0.0637","","","0.1286","0.159","","","","","","1.018","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157244","9.4484","0.0008","9.7843","0.0008","16.51","0.0012","105.221","0.002","92.073","0.003","95.141","0.003","1464","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N O4 -","- C36 H28 Cl N O4 -","- C72 H56 Cl2 N2 O8 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1359","0.058","","","0.1101","0.1332","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157245","13.4926","0.0007","9.4573","0.0005","25.3206","0.0014","90","","91.8378","0.0017","90","","3229.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl N2 O5 -","- C38 H33 Cl N2 O5 -","- C152 H132 Cl4 N8 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0975","0.0519","","","0.1063","0.1245","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157246","9.594","0.0017","9.7016","0.0017","16.666","0.003","94.12","0.005","105.428","0.005","94.267","0.005","1484.4","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 N O5 -","- C37 H31 N O5 -","- C74 H62 N2 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.2487","0.0839","","","0.1461","0.1767","","","","","","0.936","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157247","9.4889","0.0008","24.389","0.003","13.791","0.0013","90","","97.529","0.003","90","","3164.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 N4 O3 -","- C39 H32 N4 O3 -","- C156 H128 N16 O12 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0994","0.0535","","","0.1153","0.1351","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157248","15.07","0.0017","11.1664","0.0012","15.3653","0.0017","90","","97.227","0.002","90","","2565.1","0.5","296.15","","296.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Liao, Hui; Zhu, Qiuhua","Water-DMSO-promoted one-pot synthesis of two new series of dihydropyrrolo[2,3-h]quinolines.","Organic & biomolecular chemistry","2020","18","2","215","219","10.1039/c9ob02342a","","","0.71073","MoKα","","0.0982","0.0549","","","0.1493","0.1748","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157249","7.9585","0.0005","9.424","0.0005","20.5726","0.0013","86.645","0.003","79.638","0.003","84.679","0.003","1509.88","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 B Cl2 F8 N3 P -","- C28 H33 B Cl2 F8 N3 P -","- C56 H66 B2 Cl4 F16 N6 P2 -","2","1","","VanDenburgh, Katherine L.; Liu, Yun; Sadhukhan, Tumpa; Benson, Christopher R.; Cox, Natalie M.; Erbas-Cakmak, Sundus; Qiao, Bo; Gao, Xinfeng; Pink, Maren; Raghavachari, Krishnan; Flood, Amar H.","Multi-state amine sensing by electron transfers in a BODIPY probe.","Organic & biomolecular chemistry","2020","18","3","431","440","10.1039/c9ob02466b","","","0.71073","MoKα","","0.1668","0.0799","","","0.2179","0.2736","","","","","","1.007","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157250","9.914","0.003","12.666","0.005","10.006","0.003","90","","90","","90","","1256.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.2005","0.0627","","","0.097","0.1233","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157251","6.3476","0.0003","13.4188","0.0006","15.2697","0.0007","90","","96.662","0.003","90","","1291.85","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.0794","0.049","","","0.14","0.166","","","","","","0.909","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157252","21.44","0.008","6.442","0.002","30.004","0.009","90","","132.808","0.018","90","","3040.2","1.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br F N2 O S -","- C16 H12 Br F N2 O S -","- C128 H96 Br8 F8 N16 O8 S8 -","8","2","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.1137","0.0663","","","0.1844","0.2386","","","","","","0.755","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157253","12.881","0.003","19.724","0.004","9.3055","0.0019","90","","101.12","0.03","90","","2319.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 S2 -","- C23 H21 N3 O2 S2 -","- C92 H84 N12 O8 S8 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.1951","0.0974","","","0.1191","0.1267","","","","","","1.087","","","","has coordinates,has disorder","247825","2020-10-21","18:00:00",""
"7157254","8.3937","0.0017","9.26","0.0019","13.938","0.003","90.66","0.03","93.39","0.03","95.51","0.03","1076.3","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22.5 Cl0.5 N3 O3 -","- C25 H22 Cl0.5 N3 O3 -","- C50 H44 Cl N6 O6 -","2","1","","Liu, Jialin; Cao, Jilei; Liu, Rongfang; Li, Ruifeng; Qiao, Yan; Zhou, Rong","Condensation of 1,2-dicarbonyl compounds with modified Huisgen zwitterions: synthesis of N-aryl-N-acyl hydrazones.","Organic & biomolecular chemistry","2020","18","3","530","537","10.1039/c9ob02508a","","","0.71073","MoKα","","0.0863","0.0555","","","0.134","0.1474","","","","","","1.058","","","","has coordinates","247826","2020-10-21","18:00:00",""
"7157255","30.064","0.007","9.445","0.002","15.361","0.004","90","","105.189","0.007","90","","4209.5","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Xu, Qingfeng; Li, Bang; Ma, Yujie; Sun, Fei; Gao, Yanan; Ye, Na","K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-HFIP synergistically promoted para-selective sp<sup>3</sup> C-H bond diarylation of glycine esters.","Organic & biomolecular chemistry","2020","18","4","666","670","10.1039/c9ob02489a","","","0.71073","MoKα","","0.0726","0.0568","","","0.1861","0.1978","","","","","","1.474","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157256","8.6977","0.0004","14.9757","0.0006","10.6125","0.0005","90","","101.554","0.005","90","","1354.31","0.11","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C17H15NO2","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Oshimoto, Kohei; Zhou, Biao; Tsuji, Hiroaki; Kawatsura, Motoi","Synthesis of substituted benzo[b][1,4]oxazepine derivatives by the reaction of 2-aminophenols with alkynones.","Organic & biomolecular chemistry","2020","18","3","415","419","10.1039/c9ob02450f","","x-ray","0.71073","MoKα","","0.0606","0.0454","","","0.104","0.1124","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157257","10.245","0.0002","10.9607","0.0002","11.1338","0.0007","74.014","0.005","74.695","0.005","72.702","0.005","1124.73","0.09","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N5 O5 -","- C23 H23 N5 O5 -","- C46 H46 N10 O10 -","2","1","","Karahan, Seda; Tanyeli, Cihangir","Bifunctional squaramide catalyzed stereoselective Mannich reaction of α-azido ketones with isatin-derived ketimines.","Organic & biomolecular chemistry","2020","18","3","479","487","10.1039/c9ob02208b","","","0.71075","MoKα","","0.0633","0.0588","","","0.153","0.1599","","","","","","1.0697","","","","has coordinates","276355","2022-06-28","16:55:32",""
"7157258","16.7456","0.0005","16.7456","0.0005","13.5915","0.0009","90","","90","","90","","3811.3","0.3","293","2","293.15","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C22 H19 Cl N O4 -","- C22 H19 Cl N O4 -","- C176 H152 Cl8 N8 O32 -","8","1","","Jiang, Xue-Fei; Tan, Hao; Cui, Hai-Lei","FeCl<sub>3</sub> mediated dimerization of dihydropyrrolo[2,1-a]isoquinolines and chlorination of tetrasubstituted pyrroles.","Organic & biomolecular chemistry","2020","18","4","660","665","10.1039/c9ob02607j","","x-ray","1.54184","CuKα","","0.0762","0.0433","","","0.0878","0.1038","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157259","6.8732","0.0003","16.6383","0.0007","16.3749","0.0007","90","","91.708","0.001","90","","1871.77","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Kruschel, Ryan D.; Buzid, Alyah; Khandavilli, Udaya B Rao; Lawrence, Simon E.; Glennon, Jeremy D.; McCarthy, Florence O.","Isoquinolinequinone N-oxides as anticancer agents effective against drug resistant cell lines.","Organic & biomolecular chemistry","2020","18","3","557","568","10.1039/c9ob02441g","","","0.71073","MoKα","","0.0558","0.0421","","","0.1127","0.1241","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157260","7.185","0.0014","10","0.002","15.059","0.003","90","","90","","90","","1082","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 K O9 S -","- C6 H12.697 K O9 S -","- C24 H50.788 K4 O36 S4 -","4","1","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.710757","Synchrotron","","0.1384","0.0746","","","0.1829","0.2177","","","","","","1.038","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157261","6.936","0.0014","15.065","0.003","9.817","0.002","90","","90.38","0.03","90","","1025.8","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 Na O9 S -","- C6 H12.3295 Na O9 S -","- C24 H49.318 Na4 O36 S4 -","4","2","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.799895","Synchrotron","","0.0739","0.0713","","","0.1696","0.1718","","","","","","1.069","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157262","5.7496","0.0011","11.342","0.002","12.287","0.003","92.62","0.03","95.69","0.03","94.25","0.03","794","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C34 H34 N2 O8 S2 -","2","1","","Yang, Shichao; Li, Hongji; Li, Pinhua; Yang, Jingya; Wang, Lei","Room temperature iron(ii)-catalyzed radical cyclization of unsaturated oximes with hypervalent iodine reagents.","Organic & biomolecular chemistry","2020","18","4","715","724","10.1039/c9ob02424g","","","0.71073","MoKα","","0.0647","0.0466","","","0.1114","0.1222","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157263","7.471","0.013","8.149","0.014","13.09","0.02","91.378","0.019","105.627","0.019","115.663","0.017","683","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F2 N2 O -","- C16 H12 F2 N2 O -","- C32 H24 F4 N4 O2 -","2","1","","Xie, Xiaojuan; Zhang, Yifang; Hao, Jian; Wan, Wen","Ag-Catalyzed minisci C-H difluoromethylarylation of N-heteroarenes.","Organic & biomolecular chemistry","2020","18","3","400","404","10.1039/c9ob02586c","","","0.71073","MoKα","","0.0473","0.0375","","","0.1004","0.109","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157264","7.5028","0.001","10.3065","0.001","17.339","0.002","90","","93.209","0.011","90","","1338.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Bhattacherjee, Dhananjay; Shaifali, ?; Kumar, Ajay; Sharma, Ajay; Purohit, Rituraj; Das, Pralay","Iodine(iii) promoted ring-rearrangement reaction of 1-arylamino-2-oxocyclopentane-1-carbonitriles to synthesize N-aryl-δ-valerolactams.","Organic & biomolecular chemistry","2020","18","4","745","749","10.1039/c9ob02598g","","x-ray","1.54184","CuKα","","0.1436","0.0934","","","0.2885","0.4097","","","","","","1.639","","","","has coordinates","247805","2020-10-21","18:00:00",""
"7157265","7.7797","0.0003","13.9645","0.0007","21.3823","0.001","90","","90","","90","","2322.96","0.18","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O4 -","- C28 H36 O4 -","- C112 H144 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0402","0.0367","","","0.0913","0.0941","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157266","11.3526","0.0007","7.2237","0.0003","19.7666","0.0012","90","","104.982","0.006","90","","1565.91","0.16","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C68 H96 O8 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0513","0.0417","","","0.0957","0.1028","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157267","21.7423","0.0015","7.1223","0.0005","19.5816","0.0014","90","","101.416","0.007","90","","2972.3","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C136 H192 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0746","0.0556","","","0.1165","0.138","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157268","8.4637","0.0004","7.4511","0.0003","47.1253","0.0017","90","","90.048","0.004","90","","2971.9","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C136 H208 O8 -","4","2","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0675","0.0492","","","0.1042","0.1143","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157269","13.1096","0.0016","6.5478","0.0007","34.244","0.004","90","","95.486","0.011","90","","2926","0.6","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H47 O4 -","- C34 H47 O4 -","- C136 H188 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0741","0.0539","","","0.1275","0.1398","","","","","","1.045","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157270","7.4753","0.0005","8.3777","0.0007","23.7615","0.0017","90","","97.224","0.006","90","","1476.27","0.19","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C68 H104 O4 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0736","0.0527","","","0.1152","0.1417","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157271","11.0864","0.0019","12.741","0.002","12.895","0.002","87.097","0.004","76.513","0.004","70.713","0.003","1671.1","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 B F2 N5 O -","- C38 H40 B F2 N5 O -","- C76 H80 B2 F4 N10 O2 -","2","1","","Zhang, Yuandong; Zheng, Xiaohua; Zhang, Liping; Yang, Zhiyu; Chen, Li; Wang, Lei; Liu, Shi; Xie, Zhigang","Red fluorescent pyrazoline-BODIPY nanoparticles for ultrafast and long-term bioimaging.","Organic & biomolecular chemistry","2020","18","4","707","714","10.1039/c9ob02373a","","","0.71073","MoKα","","0.1335","0.0697","","","0.197","0.2496","","","","","","0.972","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157272","11.6688","0.0003","10.6008","0.0003","31.1741","0.0009","90","","100.107","0.003","90","","3796.35","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O2 S -","- C18 H23 N3 O2 S -","- C144 H184 N24 O16 S8 -","8","2","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.0638","0.0564","","","0.1439","0.1515","","","","","","1.038","","","","has coordinates,has disorder","247811","2020-10-21","18:00:00",""
"7157273","19.232","0.0003","11.92476","0.00017","23.5435","0.0004","90","","90","","90","","5399.4","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H38 N6 O2 -","- C27 H38 N6 O2 -","- C216 H304 N48 O16 -","8","1","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.054","0.0435","","","0.1067","0.1146","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157274","8.0852","0.0007","7.8019","0.0006","21.7718","0.0019","90","","97.796","0.003","90","","1360.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","EIT_DB_004_01","","","- C16 H11 F N2 O2 -","- C16 H11 F N2 O2 -","- C64 H44 F4 N8 O8 -","4","1","","Eitzinger, Andreas; Brière, Jean-François; Cahard, Dominique; Waser, Mario","Enantioselective catalytic synthesis of α-aryl-α-SCF<sub>3</sub>-β<sup>2,2</sup>-amino acids.","Organic & biomolecular chemistry","2020","18","3","405","408","10.1039/c9ob02666e","","","0.71073","MoKα","","0.0523","0.0417","","","0.0993","0.1099","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157275","5.5128","0.0006","14.1945","0.0018","20.649","0.003","90","","90","","90","","1615.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Zhou, Hui; Wang, Rui; Zhang, Hui; Chen, Wei; Lu, Xiao-Bing","Access to 1,3-oxazine-2,4-diones/1,3-thiazine-2,4-diones via organocatalytic CO<sub>2</sub>/COS incorporation into allenamides.","Organic & biomolecular chemistry","2020","18","5","905","911","10.1039/c9ob02398d","","","0.71073","MoKα","","0.1723","0.0643","","","0.1311","0.1734","","","","","","0.964","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157276","10.31491","0.00015","22.9483","0.0003","13.02398","0.00018","90","","101.4","0.0014","90","","3022.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F N2 O6 -","- C32 H33 F N2 O6 -","- C128 H132 F4 N8 O24 -","4","1","","Han, Ruiping; Ding, Yue; Jin, Xueke; Li, Er-Qing","Silver/palladium relay catalyzed 1,3-dipole annulation/allylation reactions to access fully substituted allyl imidazolidines.","Organic & biomolecular chemistry","2020","18","4","646","649","10.1039/c9ob02633a","","x-ray","1.54184","CuKα","","0.0676","0.0503","","","0.1388","0.1541","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157277","13.9043","0.0005","10.8551","0.0004","20.2244","0.0007","90","","90","","90","","3052.52","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C152 H104 N8 O40 -","8","1","","Lei, Chuan-Wen; Zhang, Chuan-Bao; Wang, Zhen-Hua; Xie, Ke-Xin; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Coumarin-3-formylpyrazoles as 3-carbon synthons in cyclocondensation for the synthesis of spiro-fused pentacyclic spirooxindoles.","Organic & biomolecular chemistry","2020","18","5","845","850","10.1039/c9ob02434d","","x-ray","1.54184","CuKα","","0.0543","0.0446","","","0.1149","0.1253","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157278","12.7729","0.0017","16.694","0.002","14.8793","0.0019","90","","104.131","0.003","90","","3076.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N3 O6 S -","- C27 H31 N3 O6 S -","- C108 H124 N12 O24 S4 -","4","1","","Chen, Mintao; Zang, Wenqing; Wei, Yin; Shi, Min","A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD.","Organic & biomolecular chemistry","2020","18","2","333","336","10.1039/c9ob02520k","","","0.71073","MoKα","","0.0728","0.0506","","","0.1322","0.1441","","","","","","1.018","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157279","10.0889","0.0002","23.6964","0.0006","11.1762","0.0003","90","","91.175","0.001","90","","2671.34","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N3 O6 S -","- C26 H29 N3 O6 S -","- C104 H116 N12 O24 S4 -","4","1","","Chen, Mintao; Zang, Wenqing; Wei, Yin; Shi, Min","A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD.","Organic & biomolecular chemistry","2020","18","2","333","336","10.1039/c9ob02520k","","","0.71073","MoKα","","0.0788","0.0588","","","0.1505","0.1683","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157280","9.037","0.002","11.821","0.003","17.193","0.004","83.149","0.003","77.073","0.002","69.039","0.003","1670.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N4 O2 -","- C38 H52 N4 O2 -","- C76 H104 N8 O4 -","2","1","","Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad","Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.","Organic & biomolecular chemistry","2020","18","2","316","332","10.1039/c9ob02439e","","","0.71073","MoKα","","0.1173","0.0783","","","0.2595","0.3108","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157281","13.492","0.002","22.47","0.002","14.213","0.001","90","","99.15","0.01","90","","4254.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H128 Cl2 Cu N8 O12 -","- C88 H128 Cl2 Cu N8 O12 -","- C176 H256 Cl4 Cu2 N16 O24 -","2","0.5","","Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad","Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.","Organic & biomolecular chemistry","2020","18","2","316","332","10.1039/c9ob02439e","","","0.71073","MoKα","","0.0888","0.0671","","","0.1766","0.1918","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157282","18.2004","0.0005","12.6594","0.0002","19.4388","0.0005","90","","121.245","0.003","90","","3829.2","0.2","180","2","180.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 F12 N2 O8 S2 -","- C32 H34 F12 N2 O8 S2 -","- C128 H136 F48 N8 O32 S8 -","4","0.5","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.063","0.0584","","","0.1835","0.1915","","","","","","1.053","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157283","8.68201","0.00013","18.7358","0.0003","25.4056","0.0004","90","","97.5197","0.0014","90","","4097.05","0.11","180","2","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F12 N2 O8 S2 -","- C36 H42 F11.9997 N2 O8 S2 -","- C144 H168 F47.9988 N8 O32 S8 -","4","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.086","0.0757","","","0.2015","0.2133","","","","","","1.056","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157284","9.6208","0.0002","17.3037","0.0004","25.0189","0.0004","90","","94.432","0.002","90","","4152.58","0.15","180","2","180.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F12 N2 O10 S2 -","- C36 H38 F12 N2 O10 S2 -","- C144 H152 F48 N8 O40 S8 -","4","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.1096","0.0883","","","0.2357","0.2567","","","","","","1.073","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157285","9.8217","0.0005","10.9991","0.0007","18.8342","0.0012","83.763","0.005","77.823","0.005","73.022","0.005","1899.8","0.2","180","2","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 F12 N2 O8 S2 -","- C32 H34 F12 N2 O8 S2 -","- C64 H68 F24 N4 O16 S4 -","2","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.0745","0.059","","","0.1536","0.1696","","","","","","1.054","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157286","10.295","0.0015","15.616","0.002","14.892","0.002","90","","108.857","0.004","90","","2265.6","0.5","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br N O2 S -","- C28 H20 Br N O2 S -","- C112 H80 Br4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0447","0.0339","","","0.086","0.0914","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157287","10.4998","0.0008","13.3726","0.0011","15.4288","0.0012","79.55","0.002","70.858","0.002","76.176","0.002","1974.7","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl N O3 S -","- C23 H18 Cl N O3 S -","- C92 H72 Cl4 N4 O12 S4 -","4","2","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.039","0.0339","","","0.0847","0.0882","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157288","5.2987","0.0011","12.768","0.003","14.845","0.003","88.429","0.005","82.358","0.006","86.33","0.006","993.2","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl N O2 S -","- C23 H18 Cl N O2 S -","- C46 H36 Cl2 N2 O4 S2 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0629","0.0439","","","0.1","0.1102","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157289","9.6174","0.0007","10.1886","0.0007","11.7888","0.0009","95.003","0.002","107.482","0.002","111.455","0.002","999.86","0.13","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cl N O -","- C28 H18 Cl N O -","- C56 H36 Cl2 N2 O2 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0401","0.033","","","0.081","0.0864","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157290","16.3487","0.0018","9.1325","0.001","16.747","0.002","90","","106.046","0.003","90","","2403","0.5","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N O2 S -","- C29 H22 Cl N O2 S -","- C116 H88 Cl4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0396","0.0337","","","0.0853","0.0905","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157291","10.2889","0.0009","15.5258","0.0012","14.8833","0.0012","90","","108.961","0.002","90","","2248.5","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl N O2 S -","- C28 H20 Cl N O2 S -","- C112 H80 Cl4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0469","0.035","","","0.0819","0.0899","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157292","10.1684","0.0006","15.8049","0.001","15.003","0.0012","90","","109.404","0.002","90","","2274.2","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C116 H92 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0448","0.0361","","","0.0869","0.0937","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157293","7.14999","0.00013","12.6963","0.0002","20.1516","0.0004","90","","90","","90","","1829.33","0.06","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0371","0.0369","","","0.0965","0.0967","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157294","8.009","0.0004","8.009","0.0004","49.0398","0.0013","90","","90","","120","","2724.2","0.2","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C120 H156 O18 S6 -","6","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0358","0.0357","","","0.0902","0.0903","","","","","","1.176","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157295","9.0717","0.0001","15.9713","0.0002","9.9969","0.0001","90","","99.008","0.001","90","","1430.56","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Wen, Li-Rong; Ren, Guang-Yi; Geng, Rui-Sen; Zhang, Lin-Bao; Li, Ming","Fast construction of isoquinolin-1(2H)-ones by direct intramolecular C-H/N-H functionalization under metal-free conditions.","Organic & biomolecular chemistry","2020","18","2","225","229","10.1039/c9ob02430a","","x-ray","1.54184","CuKα","","0.0495","0.0472","","","0.1171","0.119","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157296","10.2856","0.0005","13.4694","0.0006","11.2174","0.0005","90","","90.662","0.004","90","","1553.96","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Chen, Weiqiang; Li, Hui-Jing; Li, Qin-Ying; Wu, Yan-Chao","Direct oxidative coupling of N-acyl pyrroles with alkenes by ruthenium(ii)-catalyzed regioselective C2-alkenylation.","Organic & biomolecular chemistry","2020","18","3","500","513","10.1039/c9ob02421b","","x-ray","1.54184","CuKα","","0.0478","0.0393","","","0.1066","0.117","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157297","18.5372","0.0006","18.5372","0.0006","10.495","0.0004","90","","90","","90","","3606.4","0.2","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C144 H144 Br8 N8 O32 S8 -","8","1","","Das, Jonali; Borah, Biraj Jyoti; Das, Sajal Kumar","Base-mediated intramolecular one-pot double-cyclization of epoxide-tethered 2-fluorobenzenesulfonamides: an avenue to 1,4-benzoxazine-fused benzothiaoxazepine-1,1-dioxides.","Organic & biomolecular chemistry","2020","18","2","220","224","10.1039/c9ob02377a","","","0.71073","MoKα","","0.0432","0.0292","","","0.0558","0.061","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157298","10.3896","0.0008","10.1601","0.0012","17.175","0.003","90","","102.57","0.008","90","","1769.5","0.4","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,5-dimethyl-12-phenylindolo[2,1-a]isoquinolin-6(5H)-one","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Gao, Xiaoshuang; Li, Chengyang; Yuan, Yao; Xie, Xiaomin; Zhang, Zhaoguo","Visible-light-induced intramolecular radical cascade of α-bromo-N-benzyl-alkylamides: a new strategy to synthesize tetracyclic N-fused indolo[2,1-a]isoquinolin-6(5H)-ones.","Organic & biomolecular chemistry","2020","18","2","263","271","10.1039/c9ob02294e","","","1.54178","CuKα","","0.0502","0.0439","","","0.1152","0.1209","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157299","10.2533","0.0009","29.303","0.002","10.6278","0.001","90","","116.562","0.002","90","","2856.1","0.4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Br2 Cl N2 O2 S -","- C31 H25 Br2 Cl N2 O2 S -","- C124 H100 Br8 Cl4 N8 O8 S4 -","4","1","","Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K.","A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes.","Organic & biomolecular chemistry","2020","18","2","272","287","10.1039/c9ob02098e","","","0.71073","MoKα","","0.0864","0.0503","","","0.0925","0.1032","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157300","7.571","0.003","13.464","0.004","20.373","0.007","90","","99.227","0.01","90","","2049.9","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br2 N O -","- C24 H19 Br2 N O -","- C96 H76 Br8 N4 O4 -","4","1","","Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K.","A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes.","Organic & biomolecular chemistry","2020","18","2","272","287","10.1039/c9ob02098e","","","0.71073","MoKα","","0.1459","0.0805","","","0.1836","0.2111","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157301","10.5551","0.0008","10.5551","0.0008","18.9321","0.0014","90","","90","","90","","2109.2","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.0914","0.0654","","","0.1686","0.1841","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157302","18.3138","0.001","10.0679","0.0006","11.1281","0.0006","90","","102.629","0.002","90","","2002.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.1058","0.0674","","","0.1498","0.166","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157303","11.6501","0.0004","10.813","0.0003","16.4196","0.0005","90","","106.886","0.004","90","","1979.24","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Ramanathan, Mani; Wan, Jing; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis of 2-arylamino-3-cyanoquinolines via a cascade reaction through a nitrilium intermediate.","Organic & biomolecular chemistry","2020","18","5","975","982","10.1039/c9ob02427a","","","0.71073","MoKα","","0.0825","0.0599","","","0.1657","0.1887","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157304","20.3966","0.0005","5.584","0.0001","17.313","0.0004","90","","108.569","0.001","90","","1869.2","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","","Liu, Shitao; Li, Jisen; Lin, Junjie; Liu, Fujun; Liu, Teng; Huang, Chao","Substituent-controlled chemoselective synthesis of multi-substituted pyridones via a one-pot three-component cascade reaction.","Organic & biomolecular chemistry","2020","18","6","1130","1134","10.1039/c9ob02456e","","","1.54178","CuKα","","0.0525","0.0429","","","0.1048","0.1122","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157305","7.7487","0.0017","8.3925","0.0019","21.639","0.005","90","","90","","90","","1407.2","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 I2 N2 -","- C14 H8 I2 N2 -","- C56 H32 I8 N8 -","4","1","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.02","0.0188","","","0.0426","0.0429","","","","","","1.143","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157306","7.7529","0.0006","7.7548","0.0006","23.621","0.002","92.139","0.005","91.463","0.005","118.775","0.003","1242.38","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N3 O2 -","- C13 H8 Cl N3 O2 -","- C52 H32 Cl4 N12 O8 -","4","2","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.0611","0.0386","","","0.0988","0.1099","","","","","","2.079","","","","has coordinates","249030","2020-10-21","18:00:00",""
"7157307","11.3336","0.0002","16.1275","0.0003","18.2549","0.0003","90","","90","","90","","3336.68","0.1","299.99","0.1","299.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Yu, Jiang-Hong; Zhao, Heng; Dong, Ying-Ying; Peng, Qiu-Shi; Zhang, Bao-Bao; Wang, Hao","Biomimetic total syntheses of baefrutones A-D, baeckenon B, and frutescones A, D-F.","Organic & biomolecular chemistry","2020","18","6","1135","1139","10.1039/c9ob02490e","","x-ray","1.54184","CuKα","","0.0551","0.0462","","","0.1338","0.1448","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157308","8.8523","0.0004","10.231","0.0005","14.4737","0.0006","79.614","0.002","82.176","0.002","76.804","0.002","1249.14","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C54 H52 N4 O12 S2 -","2","1","","Yuan, Chunhao; Zhang, Hui; Yuan, Mengna; Xie, Lei; Cao, Xiaoqun","Synthesis of 1,4-diazepinone derivatives via a domino aza-Michael/S<sub>N</sub>2 cyclization of 1-azadienes with α-halogenoacetamides.","Organic & biomolecular chemistry","2020","18","6","1082","1086","10.1039/c9ob02626f","","","0.71073","MoKα","","0.0565","0.0428","","","0.1053","0.1158","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157309","10.1845","0.0006","12.6592","0.0008","12.8148","0.0008","62.147","0.002","77.425","0.002","70.019","0.002","1369.49","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Br N2 O6 S -","- C28 H29 Br N2 O6 S -","- C56 H58 Br2 N4 O12 S2 -","2","1","","Yuan, Chunhao; Zhang, Hui; Yuan, Mengna; Xie, Lei; Cao, Xiaoqun","Synthesis of 1,4-diazepinone derivatives via a domino aza-Michael/S<sub>N</sub>2 cyclization of 1-azadienes with α-halogenoacetamides.","Organic & biomolecular chemistry","2020","18","6","1082","1086","10.1039/c9ob02626f","","","1.34139","GaKα","","0.0513","0.0467","","","0.1144","0.1165","","","","","","1.16","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157310","8.917","0.0009","10.2917","0.0009","11.1275","0.0008","73.236","0.005","67.643","0.005","65.564","0.006","849.34","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C42 H32 Br2 N2 O4 -","2","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.0466","0.0345","","","0.0986","0.1128","","","","","","1.113","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157311","25.659","0.003","8.057","0.0007","18.4834","0.0017","90","","114.978","0.004","90","","3463.8","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Br Cl N O2 -","- C20 H13 Br Cl N O2 -","- C160 H104 Br8 Cl8 N8 O16 -","8","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.065","0.0409","","","0.0874","0.0965","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157312","9.7191","0.0017","10.2939","0.0019","10.63","0.002","61.607","0.006","63.029","0.005","87.604","0.006","813.1","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.0879","0.05","","","0.1208","0.1546","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157313","14.0204","0.001","7.9073","0.0005","22.6326","0.0016","90","","103.22","0.007","90","","2442.6","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H4 F8 N2 O -","- C12 H4 F8 N2 O -","- C96 H32 F64 N16 O8 -","8","1","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0443","0.036","","","0.0855","0.0912","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157314","10.9802","0.0018","11.6601","0.0011","10.2792","0.0018","90","","114.43","0.02","90","","1198.2","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 F6 N2 O -","- C12 H6 F6 N2 O -","- C48 H24 F24 N8 O4 -","4","0.5","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0459","0.0402","","","0.1021","0.1073","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157315","18.4757","0.0012","9.7925","0.0005","18.6956","0.0013","90","","90","","90","","3382.5","0.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","4-IODO-1-(4-METHOXYPHENYL)-2-(4-NITROPHENYL)-1H-PYRROLE-3-CARBADEHYDE","","- C17 H10 Cl I N2 O3 S0 -","- C17 H10 Cl I N2 O3 -","- C136 H80 Cl8 I8 N16 O24 -","8","2","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0804","0.0452","","","0.0987","0.1215","","","","","","1.029","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157316","6.6656","0.0007","19.4376","0.0015","13.2403","0.0013","90","","104.291","0.011","90","","1662.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl2 I N O -","- C17 H10 Cl2 I N O -","- C68 H40 Cl8 I4 N4 O4 -","4","1","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0575","0.0383","","","0.0853","0.099","","","","","","1.069","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157317","12.1732","0.0005","12.4347","0.0004","21.2275","0.0007","106.423","0.003","90.464","0.003","90.866","0.003","3081.5","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","cage rearranged ketone","(1R,5S,6aS,8R)-8-methoxy-2a-methyl-4-phenyloctahydro-1,4,5-(epiethane[1,1,2]triyl)cyclopenta[cd]pentalen-2(1H)-one","","- C80 H88 O8 -","- C80 H88 O8 -","- C160 H176 O16 -","2","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.","Organic & biomolecular chemistry","2020","18","7","1377","1383","10.1039/c9ob02298h","","x-ray","0.71073","MoKα","","0.1132","0.0689","","","0.1438","0.1835","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157318","6.586","0.0004","17.7133","0.001","10.0216","0.0008","90","","92.235","0.007","90","","1168.23","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cage ketone","methyl 4,5a-dimethyl-5-oxooctahydro-1H-1,3-methanocyclobuta[cd]pentalene-6-carboxylate","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.","Organic & biomolecular chemistry","2020","18","7","1377","1383","10.1039/c9ob02298h","","x-ray","0.71073","MoKα","","0.0777","0.0558","","","0.1268","0.1468","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157319","9.3585","0.0001","13.5874","0.0001","17.4681","0.0001","103.374","0.001","91.665","0.001","93.433","0.001","2154.98","0.03","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F N O2 -","- C12 H10 F N O2 -","- C96 H80 F8 N8 O16 -","8","4","","Kazia, Armands; Melngaile, Renate; Mishnev, Anatoly; Veliks, Janis","Johnson-Corey-Chaykovsky fluorocyclopropanation of double activated alkenes: scope and limitations.","Organic & biomolecular chemistry","2020","18","7","1384","1388","10.1039/c9ob02712b","","","1.54184","CuKα","","0.0537","0.0512","","","0.1593","0.1626","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157320","18.542","0.0012","4.0333","0.0003","22.2351","0.0015","90","","138.944","0.001","90","","1092.17","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br F N2 -","- C13 H8 Br F N2 -","- C52 H32 Br4 F4 N8 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2020","18","7","1436","1448","10.1039/c9ob02668a","","","0.71073","MoKα","","0.0287","0.0228","","","0.0547","0.0573","","","","","","1.0206","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157321","3.8943","0.0001","25.4059","0.0006","10.7978","0.0003","90","","98.16","0.001","90","","1057.5","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-3-fluoro-pyrazolo[1,5-a]pyridazine","","- C12 H7 Br F N3 -","- C12 H7 Br F N3 -","- C48 H28 Br4 F4 N12 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2020","18","7","1436","1448","10.1039/c9ob02668a","","","0.71073","MoKα","","0.0301","0.0235","","","0.0523","0.0554","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157322","7.5569","0.0007","7.5729","0.0006","15.4076","0.0014","90","","101.729","0.009","90","","863.33","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","","Bhattacharyya, Dipanjan; Nandi, Sekhar; Adhikari, Priyanka; Sarmah, Bikash Kumar; Konwar, Monuranjan; Das, Animesh","Boric acid catalyzed chemoselective reduction of quinolines.","Organic & biomolecular chemistry","2020","18","6","1214","1220","10.1039/c9ob02673h","","","0.71073","MoKα","","0.069","0.0528","","","0.1192","0.1387","","","","","","1.139","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157323","16.1406","0.0008","12.8442","0.0006","10.0734","0.0005","90","","97.501","0.004","90","","2070.48","0.18","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H26 O3 -","- C29 H26 O3 -","- C116 H104 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.036","0.0348","","","0.0895","0.0906","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157324","14.3416","0.0004","11.0113","0.0003","14.5008","0.0004","90","","105.056","0.003","90","","2211.35","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O5 -","- C30 H26 O5 -","- C120 H104 O20 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","1.54184","CuKα","","0.05","0.0457","","","0.1227","0.1268","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157325","10.771","0.0005","12.5336","0.0005","17.4579","0.0007","90","","106.903","0.005","90","","2254.99","0.18","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O3 -","- C31 H28 O3 -","- C124 H112 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0685","0.0514","","","0.1114","0.1217","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157326","11.8871","0.0003","12.0988","0.0004","18.3739","0.0007","92.252","0.003","102.556","0.003","100.001","0.003","2531.96","0.15","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C35 H30 O3 -","- C35 H30 O3 -","- C140 H120 O12 -","4","2","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0749","0.0553","","","0.1243","0.1389","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157327","6.28259","0.0001","18.0959","0.0003","34.9828","0.0009","89.6453","0.0018","89.8577","0.0016","83.5587","0.0015","3951.98","0.14","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C200 H208 O32 -","8","4","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0921","0.0744","","","0.1964","0.2047","","","","","","1.104","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157328","12.8119","0.0003","20.5439","0.0004","11.4704","0.0002","90","","101.082","0.0009","90","","2962.79","0.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Cl2 N O2 P -","- C35 H24 Cl2 N O2 P -","- C140 H96 Cl8 N4 O8 P4 -","4","1","","Gorre, Ramesh; Enagandhula, Damodar; Balasubramanian, Sridhar; Akondi, Srirama Murthy","Visible-light-driven metal-free aerobic synthesis of highly diastereoselective phosphinoylpyrroloindoles.","Organic & biomolecular chemistry","2020","18","7","1354","1358","10.1039/c9ob02730k","","","0.71073","MoKα","","0.1023","0.0596","","","0.132","0.154","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157329","4.8228","0.0004","15.0261","0.0016","15.5936","0.0015","88.598","0.008","88.036","0.006","82.569","0.007","1119.66","0.19","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 Na O8 S -","- C19 H32 Na O8 S -","- C38 H64 Na2 O16 S2 -","2","1","","Bencivenni, Grazia; Moccia, Maria; Ravelli, Andrea; Gillick-Healy, Malachi W; Kelly, Brian G.; Adamo, Mauro F. A.","First enantioselective synthesis of gingesulfonic acids and unequivocal determination of their absolute stereochemistry.","Organic & biomolecular chemistry","2020","18","6","1091","1094","10.1039/c9ob02662b","","x-ray","1.54178","CuKα","","0.1298","0.1107","","","0.299","0.3125","","","","","","1.094","","","","has coordinates,has disorder","249041","2020-10-21","18:00:00",""
"7157330","7.345","0.005","7.435","0.006","11.625","0.009","74.87","0.03","89.96","0.03","65.91","0.03","555.4","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C22 H20 N8 O4 -","2","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.1495","0.093","","","0.2128","0.2433","","","","","","1.126","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157331","11.5238","0.001","9.5869","0.0009","12.6216","0.0011","90","","106.002","0.003","90","","1340.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 I N3 -","- C13 H14 I N3 -","- C52 H56 I4 N12 -","4","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.0453","0.0307","","","0.07","0.077","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157332","14.409","0.002","7.2189","0.001","17.976","0.003","90","","107.935","0.007","90","","1779","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N3 -","- C20 H18 F3 N3 -","- C80 H72 F12 N12 -","4","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.0642","0.0461","","","0.1283","0.1431","","","","","","1.027","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157333","8.564","0.004","22.313","0.011","25.094","0.012","90","","93.048","0.007","90","","4788","4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 -","- C13 H15 N3 -","- C208 H240 N48 -","16","4","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.2051","0.069","","","0.1283","0.1726","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157334","5.6493","0.0002","14.4444","0.0007","21.6781","0.0009","90","","90","","90","","1768.95","0.13","297.6","0.1","297.6","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl F3 O4 -","- C16 H16 Cl F3 O4 -","- C64 H64 Cl4 F12 O16 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.083","0.0765","","","0.1951","0.2084","","","","","","1.034","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157335","17.4373","0.0011","5.6433","0.0003","16.0752","0.0009","90","","103.086","0.006","90","","1540.78","0.16","157","10","157","10","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C14 H15 F3 O4 S -","- C14 H15 F3 O4 S -","- C56 H60 F12 O16 S4 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.0851","0.0831","","","0.222","0.2261","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157336","18.0169","0.0004","19.1954","0.0005","9.2687","0.0002","90","","90","","90","","3205.5","0.13","173","0.1","173","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C31 H34 B Cl2 Co F4 N P S -","- C31 H34 B Cl2 Co F4 N P S -","- C124 H136 B4 Cl8 Co4 F16 N4 P4 S4 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0608","0.052","","","0.1146","0.1241","","","","","","1.107","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157337","23.4012","0.0007","23.4012","0.0007","5.73617","0.00017","90","","90","","120","","2720.38","0.14","173","0.1","173","0.1","","","","","","","","4","R 3 :H","R 3","146","","","","- C14 H3 N2 O -","- C14 H3 N2 O -","- C126 H27 N18 O9 -","9","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0746","0.0682","","","0.1882","0.2135","","","","","","1.102","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157338","17.739","0.0004","10.70121","0.00019","33.541","0.0007","90","","90","","90","","6367","0.2","172.99","0.1","172.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C272 H296 B8 Co8 F32 N16 P8 S8 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0742","0.0608","","","0.147","0.1681","","","","","","1.145","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157339","10.6986","0.0005","11.3012","0.0005","14.4283","0.0006","81.323","0.003","89.73","0.003","61.927","0.002","1517.22","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","2","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0708","0.0446","","","0.1081","0.1287","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157340","7.48","0.006","10.122","0.007","15.888","0.011","90","","96.16","0.03","90","","1196","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0555","0.0422","","","0.105","0.1197","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157341","6.928","0.0002","10.494","0.0003","15.399","0.0004","90","","102.976","0.001","90","","1090.96","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0738","0.0622","","","0.1624","0.18","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157342","8.0885","0.0016","14.698","0.003","8.985","0.0018","90","","101.21","0.03","90","","1047.8","0.4","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2'S,3R,3'S)-3'-(2-Bromophenyl)-1''-phenyldispiro[indoline-3,1'-cyclopropane-2',3''-pyrrolidine]-2,4'',5''-trione","","- C25 H17 Br N2 O3 -","- C25 H17 Br N2 O3 -","- C50 H34 Br2 N4 O6 -","2","1","","Wen, Jiang-Bo; Du, Da-Ming","Squaramide-catalysed asymmetric cascade reactions of 2,3-dioxopyrrolidines with 3-chlorooxindoles.","Organic & biomolecular chemistry","2020","18","8","1647","1656","10.1039/c9ob02663k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157343","9.5271","0.0002","15.9359","0.0002","18.6928","0.0004","81.305","0.001","75.309","0.002","88.641","0.001","2713.35","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 Br2 N2 O6 -","- C60 H60 Br2 N2 O6 -","- C120 H120 Br4 N4 O12 -","2","1","","Zhao, Mei-Xin; Xiang, Juan; Zhao, Zi-Qiang; Zhao, Xiao-Li; Shi, Min","Asymmetric synthesis of dihydrocoumarins via catalytic sequential 1,6-addition/transesterification of α-isocyanoacetates with para-quinone methides.","Organic & biomolecular chemistry","2020","18","8","1637","1646","10.1039/c9ob02652e","","","1.54184","CuKα","","0.0618","0.0548","","","0.1376","0.1416","","","","","","1.095","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157344","11.1329","0.0004","11.9307","0.0005","17.5044","0.0007","79.39","0.003","89.757","0.002","77.142","0.003","2226.3","0.16","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","5-Azaindole","methyl 1-benzyl-4-(1-benzyl-1H-pyrrol-2-yl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylate","","- C27 H23 N3 O2 -","- C54 H42 N6 O4 -","- C108 H84 N12 O8 -","2","1","","Dudhe, Premansh; Venkatasubbaiah, Krishnan; Pathak, Biswarup; Chelvam, Venkatesh","Serendipitous base catalysed condensation-heteroannulation of iminoesters: a regioselective route to the synthesis of 4,6-disubstituted 5-azaindoles.","Organic & biomolecular chemistry","2020","18","8","1582","1587","10.1039/c9ob02657f","","","0.71073","MoKα","","0.1432","0.0668","","","0.1757","0.2216","","","","","","1.013","","","","has coordinates","249026","2020-10-21","18:00:00",""
"7157345","20.236","0.012","5.793","0.003","14.906","0.008","90","","90","","90","","1747.4","1.7","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.0556","0.0472","","","0.1115","0.1172","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157346","9.842","0.004","9.949","0.004","11.468","0.005","100.231","0.006","105.032","0.006","95.125","0.004","1056.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10.5 H10.5 N10.5 O10.5 -","- C29 H23 N O -","- C58 H46 N2 O2 -","2","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.093","0.0511","","","0.1321","0.1921","","","","","","0.658","","","","has coordinates","249023","2020-10-21","18:00:00",""
"7157347","7.9131","0.0003","9.8841","0.0005","26.9679","0.0012","90","","91.765","0.002","90","","2108.26","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Br N O2 S -","- C27 H16 Br N O2 S -","- C108 H64 Br4 N4 O8 S4 -","4","1","","Zhou, Nengneng; Wu, Meixia; Zhang, Man; Zhou, Xiaoqiang; Zhou, Wei","TBPB-initiated cascade cyclization of 3-arylethynyl-[1,1'-biphenyl]-2-carbonitriles with sulfinic acids: access to sulfone-containing cyclopenta[gh]phenanthridines.","Organic & biomolecular chemistry","2020","18","9","1733","1737","10.1039/d0ob00119h","","","0.71073","MoKα","","0.0532","0.0441","","","0.1039","0.1105","","","","","","1.074","","","","has coordinates","257908","2020-10-21","18:00:00",""
"7157348","11.157","0.003","11.335","0.004","13.795","0.004","79.59","0.03","67.45","0.02","60.75","0.014","1405.7","0.8","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Br N O3 -","- C32 H36 Br N O3 -","- C64 H72 Br2 N2 O6 -","2","1","","Nan, Guang-Ming; Li, Xue; Yao, Tian-Yu; Yan, Ting-Xun; Wen, Li-Rong; Li, Ming","InCl<sub>3</sub>-catalyzed 5-exo-dig cyclization/1,6-conjugate addition of N-propargylamides with p-QMs to construct oxazole derivatives.","Organic & biomolecular chemistry","2020","18","9","1780","1784","10.1039/c9ob02651g","","","0.71073","MoKα","","0.0795","0.064","","","0.1122","0.1198","","","","","","1.153","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157349","7.4928","0.0007","8.7755","0.0011","11.1633","0.0011","84.247","0.009","78.666","0.008","76.675","0.01","699.17","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H21 N -","- C16 H21 N -","- C32 H42 N2 -","2","1","","Ali, Saghir; Gattu, Radhakrishna; Singh, Varun; Mondal, Santa; Khan, Abu T.; Dubey, Gurudutt; Bharatam, P. V.","Reaction behaviour of arylamines with nitroalkenes in the presence of bismuth(iii) triflate: an easy access to 2,3-dialkylquinolines.","Organic & biomolecular chemistry","2020","18","9","1785","1793","10.1039/c9ob02214g","","","0.71073","MoKα","","0.1153","0.0588","","","0.1354","0.1794","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157350","6.7495","0.0004","24.3185","0.0012","14.4757","0.0009","90","","95.466","0.003","90","","2365.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","2","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","1.34139","GaKα","","0.0418","0.0317","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157351","6.7572","0.0004","14.284","0.0007","23.8212","0.0014","90","","90","","90","","2299.2","0.2","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","1","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","0.71073","MoKα","","0.0966","0.0514","","","0.087","0.1015","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157352","16.2453","0.0004","8.9674","0.0002","9.7074","0.0002","90","","93.2014","0.001","90","","1411.95","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl N O3 -","- C17 H10 Cl N O3 -","- C68 H40 Cl4 N4 O12 -","4","1","","Upare, Atul; Chouhan, Neeraj Kumar; Ramaraju, Andhavaram; Sridhar, Balasubramanian; Bathula, Surendar Reddy","Access to pyrrolo[2,1-a]isoindolediones from oxime acetates and ninhydrin via Cu(i)-mediated domino annulations.","Organic & biomolecular chemistry","2020","18","9","1743","1746","10.1039/d0ob00058b","","","0.71073","MoKα","","0.1071","0.062","","","0.1299","0.1423","","","","","","1.441","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157353","10.4497","0.0003","14.6303","0.0004","15.2786","0.0005","90","","108.211","0.002","90","","2218.83","0.12","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 N6 O5 -","- C16 H32 N6 O5 -","- C64 H128 N24 O20 -","4","2","","Tonali, Nicolo; Correia, Isabelle; Lesma, Jacopo; Bernadat, Guillaume; Ongeri, Sandrine; Lequin, Olivier","Introducing sequential aza-amino acids units induces repeated β-turns and helical conformations in peptides.","Organic & biomolecular chemistry","2020","18","18","3452","3458","10.1039/c9ob02654a","","","1.54178","CuKα","","0.0371","0.0347","","","0.0939","0.0958","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157354","7.3978","0.0004","11.414","0.0004","17.0191","0.0008","90","","90","","90","","1437.07","0.11","151","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","167-C.HI","","","- C7.5 H8.5 I0.5 N -","- C7.5 H8.5 I0.5 N -","- C60 H68 I4 N8 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0244","0.0186","","","0.0454","0.0482","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157355","16.678","0.0005","26.824","0.0008","11.0601","0.0003","90","","124.701","0.001","90","","4067.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","166-B.HI half dichloromethane solvate","","","- C19.5 H26 Cl I N2 -","- C19.5 H26 Cl I N2 -","- C156 H208 Cl8 I8 N16 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0408","0.0297","","","0.0611","0.0689","","","","","","1.033","","","","has coordinates","250358","2020-10-21","18:00:00",""
"7157356","10.244","0.002","9.6663","0.0019","16.765","0.003","90","","92.91","0.03","90","","1658","0.5","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 Se -","- C21 H16 N2 Se -","- C84 H64 N8 Se4 -","4","1","","Yao, Hai-Feng; Li, Fang-Hui; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","Iron(iii) chloride-promoted cyclization of α,β-alkynic tosylhydrazones with diselenides: synthesis of 4-(arylselanyl)-1H-pyrazoles.","Organic & biomolecular chemistry","2020","18","10","1987","1993","10.1039/d0ob00048e","","","0.71073","MoKα","","0.0314","0.0295","","","0.0818","0.0828","","","","","","1.169","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157357","9.4156","0.0005","14.0062","0.0006","11.154","0.0006","90","","104.097","0.002","90","","1426.66","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.061","0.0402","","","0.0847","0.1001","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157358","7.2265","0.0006","13.6852","0.0016","32.525","0.003","90","","90","","90","","3216.6","0.5","120","2","119.97","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C168 H120 N8 O24 -","8","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.0893","0.0465","","","0.1214","0.1596","","","","","","1.093","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157359","9.0158","0.0002","10.7244","0.0003","32.8321","0.0009","90","","90","","90","","3174.5","0.14","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Su, Yingpeng; Zhang, Rong; Xue, Wenxuan; Liu, Xuan; Zhao, Yanan; Wang, Ke-Hu; Huang, Danfeng; Huo, Congde; Hu, Yulai","Visible-light-promoted acyl radical cascade reaction for accessing acylated isoquinoline-1,3(2H,4H)-dione derivatives.","Organic & biomolecular chemistry","2020","18","10","1940","1948","10.1039/d0ob00086h","","","0.71073","MoKα","","0.0667","0.0572","","","0.1723","0.181","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157360","8.377","0.0005","23.6227","0.0013","12.1418","0.0007","90","","109.819","0.007","90","","2260.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C100 H92 N12 O12 S4 -","4","1","","Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng","[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.","Organic & biomolecular chemistry","2020","18","10","1886","1891","10.1039/c9ob02733e","","x-ray","1.54184","CuKα","","0.0599","0.0453","","","0.1112","0.1235","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157361","11.3284","0.0005","8.7436","0.0006","20.6742","0.0009","90","","96.103","0.004","90","","2036.19","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C96 H80 N8 O12 S4 -","4","1","","Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng","[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.","Organic & biomolecular chemistry","2020","18","10","1886","1891","10.1039/c9ob02733e","","x-ray","1.54184","CuKα","","0.0669","0.0476","","","0.1197","0.1362","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157362","13.2399","0.0005","15.4494","0.0006","15.6625","0.0006","80.635","0.002","85.048","0.002","74.885","0.002","3048.4","0.2","99.98","","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N2 O23 -","- C70 H70 N2 O23 -","- C140 H140 N4 O46 -","2","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","","1.54178","CuKα","","0.0656","0.0582","","","0.1663","0.1764","","","","","","1.04","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157363","9.7417","0.0004","11.8403","0.0005","11.9923","0.0005","96.716","0.003","99.839","0.003","94.798","0.003","1345.94","0.1","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H54 N2 O17 -","- C65 H54 N2 O17 -","- C65 H54 N2 O17 -","1","0.5","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1041","0.0848","","","0.2376","0.2558","","","","","","1.055","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157364","15.4706","0.0003","42.34","0.0009","19.1101","0.0004","90","","105.106","0.001","90","","12085.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65.5 H55 Cl N2 O16 -","- C65.5 H55 Cl N2 O16 -","- C524 H440 Cl8 N16 O128 -","8","4","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1527","0.1097","","","0.3002","0.3468","","","","","","1.065","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7157365","18.6966","0.001","19.0196","0.001","18.8502","0.001","90","","111.438","0.003","90","","6239.4","0.6","100.03","","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H65 N3 O21 -","- C68 H65 N3 O21 -","- C272 H260 N12 O84 -","4","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","","1.54178","CuKα","","0.0869","0.0715","","","0.189","0.2028","","","","","","1.034","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157366","5.9234","0.001","9.2189","0.0014","19.396","0.003","90","","92.203","0.004","90","","1058.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Xing, Naiguo; Huang, Jiangkun; Wang, Peng; Luo, Lan; Zheng, Shilong; He, Ling","Novel one-pot synthesis of imidazolinones from esters: a concise synthesis of GSK2137305.","Organic & biomolecular chemistry","2020","18","11","2175","2181","10.1039/c9ob02743b","","","0.71073","MoKα","","0.0581","0.0435","","","0.1057","0.1133","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157367","5.3125","0.0002","12.3867","0.0005","13.7161","0.0006","90","","90.529","0.003","90","","902.54","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","{1-(Cyclohexyloxy)-1,3,3a,9a-tetrahydrofuro[3,4-b][1,4]benzodioxin-1- yl}methanol","","- C19 H26 O5 -","- C19 H26 O5 -","- C38 H52 O10 -","2","1","","Huang, Bo-Shun; Lowary, Todd L.","β-Selective xylulofuranosylation via a conformationally-restricted glycosyl donor.","Organic & biomolecular chemistry","2020","18","12","2264","2273","10.1039/d0ob00260g","","","1.54178","CuKα","","0.0966","0.0828","","","0.2137","0.2221","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157368","15.1789","0.0004","11.1406","0.0003","15.2829","0.0005","90","","96.945","0.003","90","","2565.41","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N5 O4 -","- C30 H23 N5 O4 -","- C120 H92 N20 O16 -","4","1","","Shoji, Taku; Iida, Nanami; Yamazaki, Akari; Ariga, Yukino; Ohta, Akira; Sekiguchi, Ryuta; Nagahata, Tatsuki; Nagasawa, Takuya; Ito, Shunji","Synthesis of phthalimides cross-conjugated with an azulene ring, and their structural, optical and electrochemical properties.","Organic & biomolecular chemistry","2020","18","12","2274","2282","10.1039/d0ob00164c","","","0.71075","MoKα","","0.0776","0.0572","","","0.1221","0.1321","","","","","","1.036","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157369","12.1083","0.0006","18.362","0.001","11.0509","0.0006","90","","111.208","0.006","90","","2290.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Br2 O5 -","- C25 H24 Br2 O5 -","- C100 H96 Br8 O20 -","4","1","","Indu, Satrajit; Telore, Rahul D.; Kaliappan, Krishna P.","Construction of key building blocks towards the synthesis of cortistatins.","Organic & biomolecular chemistry","2020","18","13","2432","2446","10.1039/d0ob00170h","","x-ray","0.71073","MoKα","","0.0706","0.0477","","","0.0941","0.1032","","","","","","1.093","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157370","5.9119","0.0018","15.078","0.005","23.745","0.007","90","","90","","90","","2116.6","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Cao, An-Zhu; Xiao, Yu-Ting; Wu, Yan-Chen; Song, Ren-Jie; Xie, Ye-Xiang; Li, Jin-Heng","Copper-catalyzed C-H [3 + 2] annulation of N-substituted anilines with α-carbonyl alkyl bromides via C(sp<sup>3</sup>)-Br/C(sp<sup>2</sup>)-H functionalization.","Organic & biomolecular chemistry","2020","18","11","2170","2174","10.1039/d0ob00399a","","","0.71073","MoKα","","0.0502","0.0435","","","0.1197","0.126","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157371","16.093","0.0001","13.1541","0.0001","16.9863","0.0001","90","","99.884","0.001","90","","3542.44","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrrole","1-(5-(1H-benzo[d][1,2,3]triazole-1-carbonyl)-4-(4-bromophenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one","","- C20 H15 Br N4 O2 -","- C20 H15 Br N4 O2 -","- C160 H120 Br8 N32 O16 -","8","2","","Galenko, Ekaterina E.; Shakirova, Firuza M.; Bodunov, Vladimir A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","1-(2H-Azirine-2-carbonyl)benzotriazoles: building blocks for the synthesis of pyrrole-containing heterocycles.","Organic & biomolecular chemistry","2020","18","12","2283","2296","10.1039/d0ob00206b","","","1.54184","CuKα","","0.0349","0.0327","","","0.0875","0.0891","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157372","10.939","0.007","5.285","0.003","35.06","0.03","90","","95.01","0.02","90","","2019","2","173","","173","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C20 H32 F6 -","- C20 H32 F6 -","- C80 H128 F24 -","4","1","","Al-Maharik, Nawaf; Cordes, David B.; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David","Probing the helical integrity of multivicinal all-syn-fluoro alkanes.","Organic & biomolecular chemistry","2020","18","5","878","887","10.1039/c9ob02647a","","","1.54187","CuKα","","0.0875","0.0631","","","0.1541","0.1613","","","","","","0.894","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157373","10.2647","0.0003","11.6265","0.0004","13.2263","0.0004","74.145","0.002","82.775","0.002","72.328","0.002","1445.18","0.08","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 B Cl2 F4 N3 -","- C33 H26 B Cl2 F4 N3 -","- C66 H52 B2 Cl4 F8 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.0983","0.0525","","","0.1279","0.1513","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157374","9.429","0.002","10.505","0.003","13.733","0.003","72.898","0.003","88.384","0.003","80.368","0.003","1281.5","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H50 Br2 Cl2 N6 -","- C65 H50 Br2 Cl2 N6 -","- C65 H50 Br2 Cl2 N6 -","1","0.5","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.1254","0.0588","","","0.0867","0.1048","","","","","","0.956","","","","has coordinates,has disorder","250370","2020-10-21","18:00:00",""
"7157375","10.9702","0.0011","12.8749","0.0013","13.9596","0.0014","67.647","0.001","67.729","0.001","88.548","0.001","1671.1","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 B N3 -","- C46 H34 B N3 -","- C92 H68 B2 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.0557","0.0427","","","0.1032","0.1112","","","","","","1.043","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157376","9.965","0.002","10.359","0.003","11.761","0.003","79.445","0.003","86.088","0.003","67.63","0.003","1103.7","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 B Cl2 N3 -","- C28 H18 B Cl2 N3 -","- C56 H36 B2 Cl4 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.1042","0.0537","","","0.1184","0.1383","","","","","","1.037","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157377","9.41","0.0003","10.4509","0.0004","13.6039","0.0005","73.214","0.002","87.718","0.002","79.175","0.002","1257.9","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H50 Cl4 N6 -","- C65 H50 Cl4 N6 -","- C65 H50 Cl4 N6 -","1","0.5","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.058","0.0442","","","0.1107","0.1192","","","","","","1.047","","","","has coordinates,has disorder","250370","2020-10-21","18:00:00",""
"7157378","15.931","0.002","14.7572","0.0015","8.0025","0.0009","90","","106.219","0.004","90","","1806.5","0.4","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3-bis Indole","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","0.5","","Singh, Himanshu; Tiwari, Rajat; Sharma, Poonam; Kumar, Pramod; Jain, Nidhi","Zinc triflate catalyzed 1,3-indolylation of cyclohexanones: tandem condensation, dehydrogenation and aromatization sequence.","Organic & biomolecular chemistry","2020","18","13","2492","2500","10.1039/d0ob00163e","","","0.71073","MoKα","","0.09","0.0551","","","0.1312","0.1448","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157379","27.747","0.003","9.3839","0.0009","7.7982","0.0008","90","","90","","90","","2030.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H20 B F6 N3 O -","- C21 H20 B F6 N3 O -","- C84 H80 B4 F24 N12 O4 -","4","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","","0.71073","MoKα","","0.0649","0.0498","","","0.0861","0.0895","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157380","7.6304","0.0002","9.5936","0.0002","11.6142","0.0003","110.557","0.001","92.1349","0.0011","98.3717","0.001","783.98","0.03","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","8-(4-N-Propargylamino-3-nitrophenyl)-bordipyrromethane","","- C18 H13 B F2 N4 O2 -","- C18 H13 B F2 N4 O2 -","- C36 H26 B2 F4 N8 O4 -","2","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","x-ray","0.71073","MoKα","","0.0328","0.031","","","0.0824","0.0845","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157381","7.5487","0.0002","6.7333","0.0002","15.8235","0.0005","90","","93.459","0.001","90","","802.81","0.04","100","2","100","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Xylarilongipin A","","- C19 H30 O3 -","- C19 H30 O3 -","- C38 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0338","0.0334","","","0.0956","0.0963","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157382","7.6786","0.0003","10.5655","0.0004","40.1904","0.0016","90","","90","","90","","3260.6","0.2","100","2","100","2","","","","","","","Xylaria longipes","3","P 21 21 21","P 2ac 2ab","19","","Xylarilongipin B","","- C20 H28 O3 -","- C20 H28 O3 -","- C160 H224 O24 -","8","2","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0833","0.0672","","","0.1827","0.2112","","","","","","1.162","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157383","11.5943","0.0006","6.2502","0.0003","12.5743","0.0007","90","","107.516","0.001","90","","868.97","0.08","152","2","152","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Hymatoxin L","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0308","0.0304","","","0.0799","0.0804","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157384","6.9173","0.0008","13.9163","0.0016","14.1631","0.0016","114.998","0.001","94.368","0.001","94.251","0.001","1223.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 F3 O4 Se -","- C26 H25 F3 O4 Se -","- C52 H50 F6 O8 Se2 -","2","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.1107","0.0814","","","0.2602","0.2805","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157385","9.3459","0.0008","19.5855","0.0017","25.163","0.002","90","","90","","90","","4605.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O5 Se -","- C26 H28 O5 Se -","- C208 H224 O40 Se8 -","8","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.0596","0.0349","","","0.0857","0.0971","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157386","10.5462","0.0006","11.8138","0.0006","24.1532","0.0013","90","","90","","90","","3009.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N3 S2 -","- C15 H17 N3 S2 -","- C120 H136 N24 S16 -","8","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0517","0.0467","","","0.1138","0.1167","","","","","","1.096","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157387","9.035","0.005","11.727","0.007","13.103","0.008","90","","90","","90","","1388.3","1.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 S2 -","- C13 H14 N4 S2 -","- C52 H56 N16 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0391","0.0369","","","0.0893","0.0906","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157388","5.3591","0.0003","19.3576","0.0011","15.0546","0.0008","90","","96.041","0.001","90","","1553.08","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0437","0.0391","","","0.1026","0.1057","","","","","","1.057","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157389","8.1553","0.0005","16.6915","0.001","14.5815","0.0009","90","","102.205","0.001","90","","1940","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 S2 -","- C21 H21 N3 S2 -","- C84 H84 N12 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0925","0.0591","","","0.131","0.1459","","","","","","1.043","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157390","11.0937","0.0007","6.0127","0.0004","13.9608","0.001","90","","93.459","0.005","90","","929.53","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","1.54178","CuKα","","0.0809","0.0556","","","0.1304","0.1447","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157391","16.298","0.01","8.588","0.006","12.152","0.008","90","","103.311","0.017","90","","1655.2","1.9","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trifluoro-4-terc-butilamio-3-buten-2-ona","1-(4-bromophenyl)-2-((tert-butylamino)methylene)-4,4,4-trifluorobutane-1,3-dione","","- C15 H15 Br F3 N O2 -","- C15 H15 Br F3 N O2 -","- C60 H60 Br4 F12 N4 O8 -","4","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.2237","0.0693","","","0.1178","0.1782","","","","","","0.893","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157392","9.0678","0.0004","10.6289","0.0005","11.469","0.0006","103.2","0.002","92.95","0.002","110.44","0.002","997.94","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Phenyl trifluormethyl (methyl methoxyphenyl)imin fluorphenyl pyrazol","1-Phenyl-3-trifluormethyl-4-(methyl-(2-methoxyphenyl)imin)-5-(4-fluorphenyl)-1H-","","- C24 H17 F4 N3 O -","- C24 H17 F4 N3 O -","- C48 H34 F8 N6 O2 -","2","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.0401","0.0354","","","0.0911","0.0943","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157393","12.889","0.002","5.2686","0.001","25.153","0.005","90","","97.851","0.006","90","","1692.1","0.5","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trifluormethyl methoxyphenyl iminomethyl bromophenyl isoxal","3-trifluormethyl-4-(2-methoxyphenyl)iminomethyl-5-(4-bromophenyl)-isoxal","","- C18 H12 Br F3 N2 O2 -","- C18 H12 Br F3 N2 O2 -","- C72 H48 Br4 F12 N8 O8 -","4","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.0921","0.0463","","","0.1056","0.1231","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157394","15.5095","0.0019","16.419","0.002","17.6112","0.0015","79.615","0.013","68.069","0.007","84.517","0.012","4090.1","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H45.5 Cl1.5 N O -","- C51.5 H45.5 Cl1.5 N O -","- C206 H182 Cl6 N4 O4 -","4","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.0525","0.0414","","","0.113","0.1175","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157395","14.607","0.004","16.157","0.004","27.29","0.004","106.338","0.003","90.856","0.003","116.601","0.007","5451","2","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H41 N3 -","- C44 H41 N3 -","- C264 H246 N18 -","6","3","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0746","0.0603","","","0.167","0.1754","","","","","","0.992","","","","has coordinates,has disorder","253979","2020-10-21","18:00:00",""
"7157396","9.2808","0.0017","15.164","0.002","16.814","0.004","74.57","0.02","84.71","0.02","81.55","0.016","2252.7","0.8","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H46 Cl3 N3 -","- C55 H46 Cl3 N3 -","- C110 H92 Cl6 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1015","0.0786","","","0.2191","0.2312","","","","","","0.993","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157397","17.038","0.009","21.523","0.008","11.237","0.005","90","","108.547","0.013","90","","3907","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl3 N O -","- C45 H44 Cl3 N O -","- C180 H176 Cl12 N4 O4 -","4","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1041","0.0824","","","0.2125","0.2265","","","","","","0.935","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157398","11.6137","0.0017","12.3195","0.0016","14.2724","0.0013","64.628","0.011","72.187","0.013","82.043","0.015","1756.5","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H43 N3 -","- C45 H43 N3 -","- C90 H86 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.1071","0.0568","","","0.1366","0.1551","","","","","","0.974","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157399","54.62","0.009","13.2972","0.0019","44.552","0.009","90","","122.652","0.003","90","","27244","8","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 N5 O -","- C49 H41 N5 O -","- C1176 H984 N120 O24 -","24","3","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1452","0.1246","","","0.3469","0.3619","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157400","11.1504","0.0015","11.582","0.0011","14.992","0.002","85.88","0.006","86.682","0.006","79.303","0.007","1895.6","0.4","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H49 N3 -","- C48 H49 N3 -","- C96 H98 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.0531","0.0433","","","0.1189","0.1229","","","","","","1.053","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157401","11.977","0.002","12.739","0.002","17.798","0.003","98.842","0.004","98.679","0.004","107.964","0.004","2495","0.7","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H44 Cl3 N5 O -","- C51 H44 Cl3 N5 O -","- C102 H88 Cl6 N10 O2 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.126","0.1182","","","0.3268","0.334","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157402","17.349","0.003","13.933","0.003","19.572","0.003","90","","100.366","0.004","90","","4653.8","1.5","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N7 -","- C52 H41 N7 -","- C208 H164 N28 -","4","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0665","0.0616","","","0.1589","0.1617","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157403","12.037","0.005","13.922","0.005","16.102","0.005","91.4728","0.0007","111.807","0.008","109.604","0.014","2324.9","1.5","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C53 H43 N7 -","- C53 H43 N7 -","- C106 H86 N14 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0507","0.0413","","","0.1143","0.1193","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157404","15.001","0.002","16.5592","0.0018","30.27","0.004","90","","100.711","0.004","90","","7388.2","1.6","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 N3 -","- C47 H43 N3 -","- C376 H344 N24 -","8","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0664","0.0586","","","0.1677","0.1748","","","","","","1.08","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157405","13.3124","0.0011","17.3674","0.0016","17.7864","0.0016","78.525","0.008","77.087","0.008","70.127","0.007","3735.5","0.6","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H43 N3 O0.5 -","- C46.5 H43 N3 O0.5 -","- C186 H172 N12 O2 -","4","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.107","0.0716","","","0.2219","0.2415","","","","","","1.085","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157406","9.6244","0.0003","9.8943","0.0003","14.3864","0.0005","90","","94.36","0.003","90","","1366","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl N O5 -","- C29 H32 Cl N O5 -","- C58 H64 Cl2 N2 O10 -","2","1","","Zhou, Jing; Bai, Li-Juan; Liang, Guo-Juan; Xu, Qi-Gui; Zhou, Li-Ping; Zhou, Hui","Organocatalytic asymmetric cascade 1,6-addition/hemiketalization/retro-Henry reaction of ortho-hydroxyphenyl-substituted p-QMs with α-nitroketones.","Organic & biomolecular chemistry","2020","18","14","2641","2645","10.1039/d0ob00397b","","x-ray","1.54184","CuKα","","0.0518","0.0467","","","0.1262","0.135","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157407","8.7086","0.0008","9.0359","0.0007","17.1804","0.0016","90","","102.801","0.003","90","","1318.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C40 H52 Br4 Cl4 O16 P4 -","4","1","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.045","0.044","","","0.1134","0.114","","","","","","1.15","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157408","8.7884","0.0003","9.1062","0.0003","34.664","0.001","90","","90","","90","","2774.12","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C80 H104 Br8 Cl8 O32 P8 -","8","2","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.0441","0.0424","","","0.1136","0.1148","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157409","5.7158","0.0008","16.615","0.002","19.036","0.002","90","","90","","90","","1807.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Popik, Oskar; Grzeszczyk, Barbara; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Synthesis of β-lactams via diastereoselective, intramolecular Kinugasa reactions.","Organic & biomolecular chemistry","2020","18","15","2852","2860","10.1039/d0ob00228c","","","1.54178","CuKα","","0.0583","0.0427","","","0.1027","0.1132","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157410","10.19377","0.00018","39.0375","0.0007","11.437","0.0002","90","","116.788","0.0008","90","","4062.81","0.13","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H74 Cl2 N8 O2 -","- C105 H74 Cl2 N8 O2 -","- C210 H148 Cl4 N16 O4 -","2","1","","Kubo, Masahiro; Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Solvent-sensitive circularly polarized luminescent compounds bearing a 9,9'-spirobi[fluorene] skeleton.","Organic & biomolecular chemistry","2020","18","15","2866","2876","10.1039/c9ob02681a","","","1.54187","CuKα","","0.0654","0.0619","","","0.1757","0.1809","","","","","","1.109","","","","has coordinates,has disorder","251732","2020-10-21","18:00:00",""
"7157411","5.4509","0.0007","19.981","0.003","10.8572","0.0016","90","","103.309","0.005","90","","1150.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Shamanth, Sadashivamurthy; Chaithra, Nagaraju; Gurukiran, Mahesha; Mamatha, Mahesha; Lokanath, N. K.; Rangappa, Kanchugarakoppal S.; Mantelingu, Kempegowda","I<sub>2</sub>-Catalyzed transformation of o-aminobenzamide to o-ureidobenzonitrile using isothiocyanates.","Organic & biomolecular chemistry","2020","18","14","2678","2684","10.1039/d0ob00118j","","","0.71075","MoKα","","0.0468","0.0399","","","0.1055","0.1112","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157412","8.532","0.0007","11.8108","0.0008","14.1961","0.001","90","","90","","90","","1430.54","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 B F O2 -","- C16 H20 B F O2 -","- C64 H80 B4 F4 O8 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.0625","0.0448","","","0.0896","0.0994","","","","","","1.044","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157413","6.2351","0.0005","12.5482","0.0009","20.861","0.0015","90","","90","","90","","1632.1","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 B O3 -","- C18 H25 B O3 -","- C72 H100 B4 O12 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.073","0.0509","","","0.1013","0.1159","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157414","34.1049","0.0003","14.4311","0.0001","31.2664","0.0002","90","","102.554","0.001","90","","15020.5","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","phaseolide A-CS","","- C106.12 H104.87 Cl12 N24 O8.53 Zn6 -","- C106.128 H104.88 Cl12 N24 O8.532 Zn6 -","- C424.512 H419.52 Cl48 N96 O34.128 Zn24 -","4","1","","Morishita, Yohei; Sonohara, Terutaka; Taniguchi, Tohru; Adachi, Kiyohiro; Fujita, Makoto; Asai, Teigo","Synthetic-biology-based discovery of a fungal macrolide from Macrophomina phaseolina.","Organic & biomolecular chemistry","2020","18","15","2813","2816","10.1039/d0ob00519c","","x-ray","1.54184","CuKα","","0.0641","0.0572","","","0.1681","0.1757","","","","","","1.044","","","","has coordinates,has disorder","251735","2020-10-21","18:00:00",""
"7157415","10.3478","0.001","14.7058","0.0014","18.6178","0.0017","90","","90","","90","","2833.1","0.5","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","N-diarylmethane substituted isoxazolinones","(R)-2-((2-chlorophenyl)(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)-4-methyl-3-phenylisoxazol-5(2H)-one","","- C31 H34 Cl N O3 -","- C31 H34 Cl N O3 -","- C124 H136 Cl4 N4 O12 -","4","1","","Qi, Suo-Suo; Jiang, Zhen-Hui; Chu, Ming-Ming; Wang, Yi-Feng; Chen, Xue-Yang; Ju, Wan-Zhen; Xu, Dan-Qian","Regioselective catalytic asymmetric N-alkylation of isoxazol-5-ones with para-quinone methides.","Organic & biomolecular chemistry","2020","18","13","2398","2404","10.1039/d0ob00393j","","","0.71073","MoKα","","0.0526","0.0407","","","0.0955","0.1045","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157416","13.583","0.003","8.561","0.002","15.116","0.003","90","","97.03","0.03","90","","1744.5","0.7","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Ning, Yi; He, Xinwei; Zuo, Youpeng; Wang, Jian; Tang, Qiang; Xie, Mengqing; Li, Ruxue; Shang, Yongjia","Rh-Catalyzed C-H activation/intramolecular condensation for the construction of benzo[f]pyrazolo[1,5-a][1,3]diazepines.","Organic & biomolecular chemistry","2020","18","15","2893","2901","10.1039/d0ob00382d","","","0.71073","MoKα","","0.0695","0.0495","","","0.1225","0.1402","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157417","7.2409","0.0013","19.433","0.004","10.923","0.002","90","","95.667","0.002","90","","1529.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Ning, Yi; He, Xinwei; Zuo, Youpeng; Wang, Jian; Tang, Qiang; Xie, Mengqing; Li, Ruxue; Shang, Yongjia","Rh-Catalyzed C-H activation/intramolecular condensation for the construction of benzo[f]pyrazolo[1,5-a][1,3]diazepines.","Organic & biomolecular chemistry","2020","18","15","2893","2901","10.1039/d0ob00382d","","","0.71073","MoKα","","0.0627","0.0462","","","0.1169","0.1269","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157418","7.5756","0.0008","8.7063","0.0006","19.34","0.003","90","","90","","90","","1275.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C60 H48 O8 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1424","0.0683","","","0.1007","0.1308","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157419","7.969","0.003","34.663","0.014","5.361","0.002","90","","90","","90","","1480.9","1","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","P21212","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C68 H64 O16 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1558","0.0762","","","0.1546","0.1915","","","","","","0.959","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157420","12.9764","0.0011","14.3781","0.0012","17.5765","0.0015","90","","90","","90","","3279.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 O2 P2 -","- C37 H40 O2 P2 -","- C148 H160 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0836","0.0522","","","0.1025","0.1121","","","","","","0.954","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157421","13.2801","0.0012","14.3298","0.0013","17.9616","0.0015","90","","90","","90","","3418.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O2 P2 -","- C38 H42 O2 P2 -","- C152 H168 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0952","0.0492","","","0.0805","0.0912","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157422","8.8154","0.0007","11.3911","0.0009","24.121","0.002","90","","90","","90","","2422.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 O3 P -","- C26 H33 O3 P -","- C104 H132 O12 P4 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0773","0.0443","","","0.0963","0.1113","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157423","14.276","0.014","14.392","0.012","11.161","0.011","90","","94.34","0.04","90","","2287","4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 S -","- C28 H28 N2 O2 S -","- C112 H112 N8 O8 S4 -","4","1","","Zakharov, A. V.; Yadykov, A. V.; Lvov, A. G.; Mitina, E. A.; Shirinian, V. Z.","Photochemical rearrangement of diarylethenes: synthesis of functionalized phenanthrenes.","Organic & biomolecular chemistry","2020","18","16","3098","3103","10.1039/d0ob00296h","","","0.71073","MoKα","","0.1304","0.0801","","","0.2078","0.2428","","","","","","1.073","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157424","9.531","0.0005","7.0315","0.0004","21.6758","0.0012","90","","93.267","0.002","90","","1450.29","0.14","302","2","302.56","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzamide derivative","4-(quinolin-2-ylcarbamoyl)phenyl acetate","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Ritu, ?; Sharma, Charu; Kumar, Sharvan; Jain, Nidhi","Singlet oxygen mediated dual C-C and C-N bond cleavage in visible light.","Organic & biomolecular chemistry","2020","18","15","2921","2928","10.1039/d0ob00563k","","","0.71073","MoKα","","0.0538","0.051","","","0.1454","0.1482","","","","","","1.069","","","","has coordinates","251731","2020-10-21","18:00:00",""
"7157425","31.975","0.004","7.5139","0.001","20.464","0.003","90","","115.609","0.002","90","","4433.6","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8,17,18-tetrakis(trifluoromethyl)-5,10,15,20-tetraphenylporphyrin toluene solvate","","- C55 H34 F12 N4 -","- C55 H34 F12 N4 -","- C220 H136 F48 N16 -","4","0.5","","Thomas, Kolle E.; Conradie, Jeanet; Beavers, Christine M.; Ghosh, Abhik","Free-base porphyrins with localized NH protons. Can substituents alone stabilize the elusive cis tautomer?","Organic & biomolecular chemistry","2020","18","15","2861","2865","10.1039/d0ob00452a","","","0.7749","synchrotron","","0.081","0.064","","","0.1783","0.1896","","","","","","1.027","","","","has coordinates,has disorder","251736","2020-10-21","18:00:00",""
"7157426","9.0309","0.0004","13.028","0.0005","19.9637","0.0008","99.064","0.002","98.729","0.002","91.614","0.002","2289.36","0.16","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","4","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","1.54178","CuKα","","0.072","0.0702","","","0.2066","0.211","","","","","","1.036","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157427","6.0742","0.0007","8.6056","0.001","43.665","0.005","90","","90","","90","","2282.5","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O2 S -","- C28 H28 O2 S -","- C112 H112 O8 S4 -","4","1","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","0.71073","MoKα","","0.1762","0.0603","","","0.083","0.114","","","","","","0.907","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157428","9.778","0.0002","10.6122","0.0002","11.1756","0.0002","103.043","0.001","104.128","0.002","92.353","0.002","1089.87","0.04","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Li, Ming; Yao, Tian-Yu; Sun, Sheng-Zheng; Yan, Ting-Xun; Wen, Li-Rong; Zhang, Lin-Bao","The ruthenium(ii)-catalyzed C-H olefination of indoles with alkynes: the facile construction of tetrasubstituted alkenes under aqueous conditions.","Organic & biomolecular chemistry","2020","18","16","3158","3163","10.1039/d0ob00508h","","x-ray","1.54184","CuKα","","0.043","0.0395","","","0.1026","0.1067","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157431","8.3154","0.0014","20.34","0.004","17.962","0.003","90","","101.759","0.003","90","","2974.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N5 O4 S -","- C32 H33 N5 O4 S -","- C128 H132 N20 O16 S4 -","4","1","","Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou","Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.","Organic & biomolecular chemistry","2020","18","16","3149","3157","10.1039/d0ob00346h","","","0.71073","MoKα","","0.1548","0.0592","","","0.1285","0.1675","","","","","","0.983","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157432","14.818","0.006","11.92","0.005","16.557","0.007","90","","91.828","0.007","90","","2923","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl0 N3 O4 S -","- C32 H29 N3 O4 S -","- C128 H116 N12 O16 S4 -","4","1","","Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou","Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.","Organic & biomolecular chemistry","2020","18","16","3149","3157","10.1039/d0ob00346h","","","0.71073","MoKα","","0.1153","0.0496","","","0.1137","0.1434","","","","","","0.987","","","","has coordinates","251723","2020-10-21","18:00:00",""
"7157433","6.0543","0.0009","8.5333","0.0014","34.582","0.006","90","","90","","90","","1786.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Pan, Changduo; Huang, Gao; Shan, Yujia; Li, Yiting; Yu, Jin-Tao","Rh(iii)-Catalyzed regioselective C4 alkylation of indoles with allylic alcohols: direct access to β-indolyl ketones.","Organic & biomolecular chemistry","2020","18","16","3038","3042","10.1039/d0ob00396d","","","0.71073","MoKα","","0.1121","0.0779","","","0.2075","0.2301","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157434","14.1097","0.0004","10.9238","0.0003","17.0344","0.0005","90","","94.326","0.003","90","","2618.06","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 F2 N4 Si -","- C27 H28 Cl2 F2 N4 Si -","- C108 H112 Cl8 F8 N16 Si4 -","4","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0894","0.0818","","","0.2105","0.2219","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157435","9.0006","0.0003","16.2355","0.0004","14.0783","0.0004","90","","96.804","0.003","90","","2042.76","0.1","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl2 F2 N2 Si -","- C23 H18 Cl2 F2 N2 Si -","- C92 H72 Cl8 F8 N8 Si4 -","4","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0342","0.0302","","","0.0821","0.0843","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157436","7.8983","0.0002","10.1395","0.0003","14.2203","0.0004","80.924","0.002","74.043","0.002","85.365","0.002","1080.4","0.05","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 N2 Si -","- C24 H14 F8 N2 Si -","- C48 H28 F16 N4 Si2 -","2","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0512","0.0449","","","0.1152","0.1202","","","","","","1.061","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157437","5.5623","0.0003","8.7434","0.0004","17.6707","0.0008","90","","96.868","0.002","90","","853.22","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl N O3 S -","- C19 H14 Cl N O3 S -","- C38 H28 Cl2 N2 O6 S2 -","2","1","","Wang, Mei-Xin; Liu, Juan; Liu, Zhen; Wang, Yingcheng; Yang, Qi-Qiong; Shan, Wenyu; Deng, Yu-Hua; Shao, Zhihui","Enantioselective synthesis of chiral α-alkynylated thiazolidones by tandem S-addition/acetalization of alkynyl imines.","Organic & biomolecular chemistry","2020","18","16","3117","3124","10.1039/d0ob00365d","","","1.54178","CuKα","","0.0442","0.0423","","","0.1046","0.1071","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157438","5.5984","0.0001","11.093","0.0002","12.6395","0.0003","93.034","0.001","97.303","0.001","99.705","0.001","765.22","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-(Benzyloxy)propyl)-8-bromo-1H-purine-2,6(3H,7H)-dione","","- C15 H15 Br N4 O3 -","- C15 H15 Br N4 O3 -","- C30 H30 Br2 N8 O6 -","2","1","","Pretze, Marc; Neuber, Christin; Kinski, Elisa; Belter, Birgit; Köckerling, Martin; Caflisch, Amedeo; Steinbach, Jörg; Pietzsch, Jens; Mamat, Constantin","Synthesis, radiolabelling and initial biological characterisation of <sup>18</sup>F-labelled xanthine derivatives for PET imaging of Eph receptors.","Organic & biomolecular chemistry","2020","18","16","3104","3116","10.1039/d0ob00391c","","","0.71073","MoKα","","0.045","0.0296","","","0.0759","0.0808","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157439","10.3","0.0006","7.5991","0.0006","9.0926","0.0006","90","","95.806","0.004","90","","708.03","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-(Methoxy)propyl)urea","","- C5 H12 N2 O2 -","- C5 H12 N2 O2 -","- C20 H48 N8 O8 -","4","1","","Pretze, Marc; Neuber, Christin; Kinski, Elisa; Belter, Birgit; Köckerling, Martin; Caflisch, Amedeo; Steinbach, Jörg; Pietzsch, Jens; Mamat, Constantin","Synthesis, radiolabelling and initial biological characterisation of <sup>18</sup>F-labelled xanthine derivatives for PET imaging of Eph receptors.","Organic & biomolecular chemistry","2020","18","16","3104","3116","10.1039/d0ob00391c","","","0.71073","MoKα","","0.0415","0.0348","","","0.0895","0.094","","","","","","1.059","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157440","9.768","0.002","5.0226","0.001","17.193","0.003","90","","95.43","0.03","90","","839.7","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 N2 S -","- C22 H18 N2 S -","- C44 H36 N4 S2 -","2","1","","Jiang, Jingjing; Tuo, Xiaolong; Fu, Zhuquan; Huang, Huawen; Deng, Guo-Jun","Three-component synthesis of 1,4-benzothiazines via iodide-catalyzed aerobic C-H sulfuration with elemental sulfur.","Organic & biomolecular chemistry","2020","18","17","3234","3238","10.1039/d0ob00074d","","","0.71073","MoKα","","0.0813","0.0696","","","0.1288","0.1363","","","","","","1.125","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157441","5.6311","0.0005","16.1768","0.0013","18.5883","0.0014","90","","90.132","0.007","90","","1693.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.1089","0.0552","","","0.1007","0.1226","","","","","","0.951","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157442","19.7918","0.0006","8.177","0.0002","24.1081","0.0007","90","","107.785","0.003","90","","3715.14","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0586","0.0424","","","0.1043","0.1148","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157443","6.576","0.0004","16.9049","0.001","17.5937","0.0008","90","","90","","90","","1955.83","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N2 O2 S -","- C24 H18 N2 O2 S -","- C96 H72 N8 O8 S4 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0869","0.0594","","","0.1246","0.1399","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157444","14.1114","0.0013","5.6423","0.0005","25.433","0.002","90","","98.033","0.003","90","","2005.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dibenzyl disulfanylsulfone","1-(4-Bromobenzyl)-2-[(4-bromophenyl)(phenylsulfonyl)methyl]disulfane","","- C20 H16 Br2 O2 S3 -","- C20 H16 Br2 O2 S3 -","- C80 H64 Br8 O8 S12 -","4","1","","Jannapu Reddy, Raju; Waheed, Md; Rama Krishna, Gamidi","Phenylboronic acid-catalyzed tandem construction of S-S and C-S bonds: a new method for the synthesis of benzyl disulfanylsulfone derivatives from S-benzyl thiosulfonates.","Organic & biomolecular chemistry","2020","18","17","3243","3248","10.1039/d0ob00442a","","","0.71073","MoKα","","0.0198","0.0179","","","0.0432","0.044","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157445","9.8538","0.0017","10.2156","0.0017","18.572","0.003","90","","102.789","0.017","90","","1823.1","0.5","293.31","0.1","293.31","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N2 O3 -","- C22 H17 N2 O3 -","- C88 H68 N8 O12 -","4","1","","Dagar, Anuradha; Seo, Yohan; Namkung, Wan; Kim, Ikyon","A domino annulation approach to 3,4-diacylpyrrolo[1,2-a]pyrazines: decoration of pyrazine units.","Organic & biomolecular chemistry","2020","18","17","3324","3333","10.1039/d0ob00444h","","x-ray","0.71073","MoKα","","0.1476","0.0713","","","0.142","0.1763","","","","","","1.048","","","","has coordinates,has disorder","252900","2020-10-21","18:00:00",""
"7157446","7.3519","0.0009","7.7182","0.0012","13.473","0.002","90.118","0.005","98.358","0.004","94.483","0.004","754","0.19","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C34 H30 N2 O4 S2 -","2","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.1053","0.0454","","","0.0955","0.1158","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157447","9.729","0.005","9.766","0.005","10.945","0.006","67.938","0.014","81.05","0.014","73.602","0.014","923.1","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C44 H32 Cl2 N2 O2 S2 -","2","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.0533","0.0467","","","0.1261","0.1349","","","","","","0.943","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157448","7.656","0.004","21.804","0.01","10.011","0.005","90","","106.066","0.018","90","","1605.9","1.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 N O S -","- C17 H13 Cl2 N O S -","- C68 H52 Cl8 N4 O4 S4 -","4","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.0592","0.0538","","","0.1571","0.1703","","","","","","0.657","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157449","13.132","0.003","8.2538","0.0017","20.537","0.004","90","","105.43","0.03","90","","2145.8","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl N O3 S -","- C25 H20 Cl N O3 S -","- C100 H80 Cl4 N4 O12 S4 -","4","1","","Lu, Tianyu; Zhang, Xuange; Miao, Zhiwei","Synthesis of methylene cyclopropane-fused chromenes and dihydroquinolines by sequential [4 + 2]- and [1 + 2]-annulation.","Organic & biomolecular chemistry","2020","18","17","3303","3311","10.1039/d0ob00389a","","","0.71073","MoKα","","0.0491","0.0392","","","0.1089","0.1297","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157450","9.5548","0.0019","10.071","0.002","10.634","0.002","100.86","0.03","104.43","0.03","105.69","0.03","917.5","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C50 H36 O6 -","2","1","","Lu, Tianyu; Zhang, Xuange; Miao, Zhiwei","Synthesis of methylene cyclopropane-fused chromenes and dihydroquinolines by sequential [4 + 2]- and [1 + 2]-annulation.","Organic & biomolecular chemistry","2020","18","17","3303","3311","10.1039/d0ob00389a","","","0.71073","MoKα","","0.0779","0.0563","","","0.1485","0.1687","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157451","29.831","0.004","11.148","0.0006","14.9443","0.0019","90","","133.61","0.02","90","","3598.4","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C192 H128 O16 -","8","1","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0656","0.048","","","0.1334","0.1501","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157452","21.9993","0.0004","12.5762","0.0003","13.8028","0.0003","90","","90","","90","","3818.79","0.14","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C200 H144 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0521","0.0422","","","0.1094","0.1193","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157453","11.8769","0.0008","11.865","0.0006","14.2912","0.0011","90","","110.026","0.008","90","","1892.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 F3 O2 -","- C24 H13 F3 O2 -","- C96 H52 F12 O8 -","4","1","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.08","0.0605","","","0.1653","0.1862","","","","","","1.04","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157454","21.9897","0.0006","12.2777","0.0003","13.5508","0.0004","90","","90","","90","","3658.48","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H15 F O3 -","- C24 H15 F O3 -","- C192 H120 F8 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0573","0.0421","","","0.1018","0.1161","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157455","10.9195","0.0008","11.7513","0.0007","14.206","0.0006","87.69","0.005","77.763","0.005","71.943","0.006","1693.1","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C92 H56 O8 -","4","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0637","0.0473","","","0.1252","0.1428","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157456","19.7751","0.0007","7.6977","0.0003","13.7091","0.0005","90","","104.859","0.004","90","","2017.05","0.13","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H28 O2 Si -","- C22 H28 O2 Si -","- C88 H112 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","","0.71073","MoKα","","0.0275","0.0268","","","0.0715","0.072","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157457","9.8166","0.0004","12.8538","0.0005","14.9915","0.0007","90","","98.444","0.004","90","","1871.13","0.14","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0619","0.0562","","","0.1483","0.1528","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157458","7.1033","0.0014","15.7","0.003","10.748","0.002","90","","90.224","0.006","90","","1198.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 O2 Si -","- C10 H19 O2 Si -","- C40 H76 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71075","MoKα","","0.097","0.0694","","","0.1738","0.1941","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157459","7.0479","0.0002","10.1584","0.0004","11.6894","0.0004","91.402","0.003","99.676","0.003","96.997","0.003","817.99","0.05","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H50 O8 -","- C34 H50 O8 -","- C34 H50 O8 -","1","0.5","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0556","0.0451","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157460","7.3875","0.0002","9.2832","0.0003","11.5913","0.0003","103.164","0.003","95.845","0.002","95.145","0.002","764.77","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H50 O8 -","- C34 H50 O8 -","- C34 H50 O8 -","1","0.5","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0397","0.035","","","0.0904","0.0932","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157461","9.317","0.0009","18.704","0.002","13.6865","0.0014","90","","93.967","0.004","90","","2379.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Rayaroth, Amritha; Singh, Rajat Kumar; A V, Kalyanakrishnan; Hari, Krishna; Kaliyamoorthy, Alagiri","Base-promoted 1,6-conjugate addition of alkylazaarenes to para-quinone methides.","Organic & biomolecular chemistry","2020","18","17","3354","3359","10.1039/d0ob00419g","","","0.71073","MoKα","","0.0955","0.0569","","","0.1319","0.1646","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157462","5.5878","0.0007","10.8004","0.0011","13.7039","0.0012","105.531","0.008","91.027","0.009","101.719","0.01","777.93","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-chloro-6-(p-tolyl)phenanthridine","","- C20 H14 Cl N -","- C20 H14 Cl N -","- C40 H28 Cl2 N2 -","2","1","","Fang, Benyao; Hou, Jiao; Tian, Jinyue; Yu, Wenquan; Chang, Junbiao","Synthesis of phenanthridines by I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2020","18","17","3312","3323","10.1039/d0ob00433b","","x-ray","1.54184","CuKα","","0.0764","0.0559","","","0.1624","0.1918","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157463","8.3958","0.0001","10.3211","0.0002","33.5425","0.0005","90","","91.208","0.001","90","","2905.94","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Br N3 O6 -","- C31 H32 Br N3 O6 -","- C124 H128 Br4 N12 O24 -","4","1","","Ao, Chaoqun; Huang, Jingjing; Xu, Xinfang; Jia, Shikun; Kang, Zhenghui; Hu, Wenhao","A Rh-catalyzed three-component reaction for the diastereoselective synthesis of pyrazolone derivatives with contiguous quaternary stereocenters.","Organic & biomolecular chemistry","2020","18","18","3466","3470","10.1039/d0ob00482k","","x-ray","1.54184","CuKα","","0.0704","0.0647","","","0.1481","0.1546","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157464","8.6541","0.0005","5.7809","0.0003","33.543","0.002","90","","97.281","0.004","90","","1664.57","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4Z)-2,4-diphenyl-8,9-dihydrocycloocta[b]furan-6(7H)-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Dos Santos, Emerson E. F.; de Souza, Gabriela F. P.; Simoni, Deborah A.; Salles, Jr, Airton G","A base-promoted tandem approach to bicyclic 8-membered ring ketones.","Organic & biomolecular chemistry","2020","18","17","3249","3253","10.1039/d0ob00618a","","","1.54178","CuKα","","0.0751","0.0584","","","0.1262","0.1326","","","","","","1.13","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157465","11.5618","0.0005","20.0595","0.001","20.7439","0.001","90","","90","","90","","4811","0.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 N4 O2 S -","- C26 H22 N4 O2 S -","- C104 H88 N16 O8 S4 -","4","1","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping","KI/TBHP-promoted [3 + 2] cycloaddition of pyrrolo[1,2-a]quinoxalines and N-arylsulfonylhydrazones.","Organic & biomolecular chemistry","2020","18","17","3360","3366","10.1039/d0ob00494d","","","0.71073","MoKα","","0.1026","0.0924","","","0.2486","0.2593","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157466","7.1117","0.0014","14.251","0.003","7.5497","0.0015","90","","102.83","0.03","90","","746","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5ad","","- C16 H11 N5 O2 -","- C16 H11 N5 O2 -","- C32 H22 N10 O4 -","2","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0631","0.0401","","","0.0721","0.0777","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157467","9.6779","0.0019","15.962","0.003","12.006","0.002","90","","108.7","0.03","90","","1756.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7ab","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C76 H72 N16 O8 -","4","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0959","0.0584","","","0.1333","0.1495","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157468","14.942","0.003","12.891","0.003","17.93","0.004","90","","90","","90","","3453.6","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7ae","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0887","0.0512","","","0.0993","0.1121","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157469","13.151","0.003","18.198","0.004","19.461","0.004","90","","90","","90","","4657.4","1.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6ea","","- C28 H23 N3 S -","- C28 H23 N3 S -","- C224 H184 N24 S8 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0923","0.052","","","0.1038","0.1171","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157470","13.7872","0.0009","11.4491","0.0007","7.3967","0.0005","90","","101.273","0.003","90","","1145.05","0.13","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","x-ray","1.54178","CuKα","","0.104","0.0957","","","0.207","0.211","","","","","","1.179","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157471","4.6972","0.0002","11.9618","0.0005","15.7954","0.0007","81.534","0.003","86.654","0.004","84.89","0.003","873.41","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br N O2 -","- C20 H22 Br N O2 -","- C40 H44 Br2 N2 O4 -","2","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","","1.54178","CuKα","","0.0839","0.0732","","","0.1867","0.1935","","","","","","1.136","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157472","4.4247","0.0003","16.1174","0.001","19.4957","0.0013","99.692","0.002","94.484","0.002","92.775","0.002","1363.61","0.16","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 N2 O4 -","- C32 H27.9983 Br2.0024 N2 O4 -","- C64 H55.9966 Br4.0048 N4 O8 -","2","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","x-ray","1.54178","CuKα","","0.042","0.041","","","0.1059","0.1066","","","","","","1.098","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157473","5.5466","0.0001","9.9811","0.0002","27.5422","0.0005","90","","91.085","0.002","90","","1524.5","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","","Lin, Qifu; Yao, Yongqi; Yang, Wen; Tan, Yun; Chen, Shuqi; Chen, Donghan; Yang, Dingqiao","Copper-catalyzed diastereoselective hydrothioetherification of oxa(aza)benzonorbornadienes.","Organic & biomolecular chemistry","2020","18","18","3575","3584","10.1039/d0ob00659a","","x-ray","1.54184","CuKα","","0.0441","0.0404","","","0.1143","0.1178","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157474","10.5718","0.0013","10.6288","0.0012","13.5806","0.0017","100.473","0.01","97.068","0.01","103.526","0.01","1436.9","0.3","295","2","295","2","","","","","","","none","4","P -1","-P 1","2","none","Methyl (1R,3S,5r,7r)-8'-(4-methylbenzoyl)-4',4'-diphenyl-4'H-spiro-[adamantane-2,2'-pyrazolo[5,1-d][1,3,5]dioxazine]-7'-carboxylate","","- C35 H32 N2 O5 -","- C35 H32 N2 O5 -","- C70 H64 N4 O10 -","2","1","","Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael","Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines.","Organic & biomolecular chemistry","2020","18","17","3382","3391","10.1039/d0ob00451k","","","0.71073","MoKα","","0.0726","0.0523","","","0.1289","0.1459","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157475","9.2689","0.0014","9.782","0.0012","35.199","0.003","94.886","0.009","92.57","0.01","115.038","0.013","2869.4","0.7","295","2","295","2","","","","","","","none","4","P -1","-P 1","2","none","Methyl 8'-(4-methylbenzoyl)-4',4'-diphenyl-4'H-spiro[cyclohexane-1,2'-pyrazolo[5,1-d][1,3,5]dioxazine]-7'-carboxylate","","- C66 H66 N4 O11 -","- C66 H66 N4 O11 -","- C132 H132 N8 O22 -","2","1","","Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael","Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines.","Organic & biomolecular chemistry","2020","18","17","3382","3391","10.1039/d0ob00451k","","","0.71073","MoKα","","0.1265","0.0759","","","0.1856","0.2195","","","","","","1.016","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157476","9.3467","0.0019","11.887","0.002","11.887","0.002","97.25","","97.072","0.002","97.072","0.002","1287.2","0.4","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- C21 H26 Br Cl F6 N2 P Rh Se -","- C21 H26 Br Cl F6 N2 P Rh Se -","- C42 H52 Br2 Cl2 F12 N4 P2 Rh2 Se2 -","2","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0566","0.0373","","","0.0782","0.0835","","","","","","0.971","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157477","12.562","0.003","11.151","0.002","19.041","0.004","90","","91.874","0.003","90","","2665.8","1","298","2","298","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C21 H26 Br Cl F6 N2 P Rh S -","- C21 H26 Br Cl F6 N2 P Rh S -","- C84 H104 Br4 Cl4 F24 N8 P4 Rh4 S4 -","4","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0544","0.0477","","","0.1033","0.1057","","","","","","1.068","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157478","5.7568","0.0004","25.3971","0.0013","13.5914","0.0008","90","","98.147","0.002","90","","1967.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","phenylselanyl azaspiro decatrienedione","1-methyl-4-phenyl-3-((3-(trifluoromethyl)phenyl)selanyl)-1-azaspiro [4.5]deca-3,6,9-triene-2,8-dione","","- C23 H16 F3 N O2 Se -","- C23 H16 F3 N O2 Se -","- C92 H64 F12 N4 O8 Se4 -","4","1","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0608","0.041","","","0.0915","0.0981","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157479","9.6477","0.0005","14.9116","0.0008","13.3181","0.0007","90","","98.129","0.002","90","","1896.73","0.17","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","azaspiro deca trienedione","1-methyl-4-phenyl-3-(phenylselanyl)-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione","","- C22 H17 N O2 Se -","- C22 H17 N O2 Se -","- C88 H68 N4 O8 Se4 -","4","2","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0546","0.0377","","","0.0994","0.1104","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157480","18.987","0.004","25.021","0.006","7.087","0.0018","90","","90","","90","","3366.8","1.4","300","2","300","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C160 H128 O48 -","16","1","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.0676","0.0466","","","0.1106","0.1232","","","","","","1.042","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157481","7.57","0.002","9.753","0.002","13.656","0.003","90","","102.23","0.03","90","","985.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","2","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1115","0.0552","","","0.1277","0.1542","","","","","","0.951","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157482","25.689","0.005","10.003","0.002","7.418","0.002","90","0.03","105.62","0.03","90","0.03","1835.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N O5 -","- C10 H7 N O5 -","- C80 H56 N8 O40 -","8","1","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.091","0.0536","","","0.1228","0.1473","","","","","","1.019","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157483","8.009","","9.607","","13.044","","94.77","","105.91","","108.25","","900.812","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 N O3 -","- C11 H7 N O3 -","- C44 H28 N4 O12 -","4","2","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1281","0.0748","","","0.1975","0.2304","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157484","24.1998","0.0014","12.37","0.0006","9.5879","0.0006","90","","119.944","0.008","90","","2487","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C88 H92 Cl4 N8 O12 -","4","1","","Cui, Hao; Li, Ke; Wang, Yue; Song, Manman; Wang, Congcong; Wei, Donghui; Li, Er-Qing; Duan, Zheng; Mathey, François","Copper(i)/Ganphos catalysis: enantioselective synthesis of diverse spirooxindoles using iminoesters and alkyl substituted methyleneindolinones.","Organic & biomolecular chemistry","2020","18","19","3740","3746","10.1039/d0ob00546k","","x-ray","1.54184","CuKα","","0.0472","0.0448","","","0.1259","0.1291","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157485","6.61847","0.00005","9.54","0.00006","44.1844","0.0003","90","","90","","90","","2789.81","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C29 H48 O3 -","- C116 H192 O12 -","4","1","","Xiao, Long-Gao; Zhang, Yu; Zhang, Hong-Li; Li, Ding; Gu, Qiong; Tang, Gui-Hua; Yu, Qian; An, Lin-Kun","Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica.","Organic & biomolecular chemistry","2020","18","27","5130","5136","10.1039/d0ob00666a","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0714","0.072","","","","","","1.038","","","","has coordinates","255090","2020-10-21","18:00:00",""
"7157486","8.3268","0.0014","9.2126","0.0013","9.6765","0.0016","83.964","0.005","73.197","0.005","73.333","0.005","680.55","0.19","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br N O2 -","- C16 H11 Br N O2 -","- C32 H22 Br2 N2 O4 -","2","1","","Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan","Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.","Organic & biomolecular chemistry","2020","18","20","3843","3847","10.1039/d0ob00789g","","","0.71073","MoKα","","0.0404","0.037","","","0.1032","0.1054","","","","","","1.062","","","","has coordinates","252917","2020-10-21","18:00:00",""
"7157487","11.1312","0.0004","8.2115","0.0004","16.7219","0.0007","90","","109.192","0.001","90","","1443.5","0.11","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan","Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.","Organic & biomolecular chemistry","2020","18","20","3843","3847","10.1039/d0ob00789g","","","0.71073","MoKα","","0.0686","0.0607","","","0.1766","0.1844","","","","","","1.058","","","","has coordinates","252917","2020-10-21","18:00:00",""
"7157488","7.7099","0.0006","16.5285","0.0015","15.8165","0.0016","90","","94.189","0.007","90","","2010.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl F12 N O3 -","- C16 H10 Cl F12 N O3 -","- C64 H40 Cl4 F48 N4 O12 -","4","1","","Mo, Zu-Yu; Wang, Xin-Yu; Zhang, Yu-Zhen; Yang, Li; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled functionalization of indoles or anilines for the synthesis of hexafluoroisopropoxy indole and aniline derivatives.","Organic & biomolecular chemistry","2020","18","20","3832","3837","10.1039/d0ob00157k","","x-ray","0.71073","MoKα","","0.0717","0.0553","","","0.1422","0.156","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157489","42.922","0.009","30.652","0.006","19.133","0.004","90","","94.97","0.03","90","","25078","9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C210 H270 B6 N6 O24 -","- C210 H269.5 B6 N6 O24 -","- C840 H1078 B24 N24 O96 -","4","0.5","","Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro","Preparation of cage-shaped hexakis(spiroborate)s.","Organic & biomolecular chemistry","2020","18","19","3717","3723","10.1039/d0ob00518e","","","0.75","synchrotron","","0.1391","0.1064","","","0.3231","0.3545","","","","","","1.324","","","","has coordinates,has disorder","252911","2020-10-21","18:00:00",""
"7157490","27.909","0.006","32.78","0.007","34.958","0.007","105.11","0.03","107.86","0.03","110.03","0.03","26098","16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C223.49 H272.13 B6 N6.66 O25.16 -","- C223.484 H272.131 B6 N6.6615 O25.1615 -","- C893.938 H1088.52 B24 N26.646 O100.646 -","4","2","","Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro","Preparation of cage-shaped hexakis(spiroborate)s.","Organic & biomolecular chemistry","2020","18","19","3717","3723","10.1039/d0ob00518e","","","0.75","synchrotron","","0.1566","0.14","","","0.4052","0.4269","","","","","","1.856","","","","has coordinates,has disorder","252911","2020-10-21","18:00:00",""
"7157491","9.74142","0.00005","9.74142","0.00005","55.7588","0.0004","90","","90","","90","","5291.25","0.05","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C45 H74 N2 O20 S2 -","- C45 H74 N2 O20 S2 -","- C180 H296 N8 O80 S8 -","4","0.5","","Tota, Arianna; Carlucci, Claudia; Pisano, Luisa; Cutolo, Giuliano; Clarkson, Guy J.; Romanazzi, Giuseppe; Degennaro, Leonardo; Bull, James A.; Rollin, Patrick; Luisi, Renzo","Synthesis of glycosyl sulfoximines by a highly chemo- and stereoselective NH- and O-transfer to thioglycosides.","Organic & biomolecular chemistry","2020","18","20","3893","3897","10.1039/d0ob00647e","","x-ray","1.54184","CuKα","","0.0469","0.0464","","","0.1189","0.1193","","","","","","1.053","","","","has coordinates","252920","2020-10-21","18:00:00",""
"7157492","17.9619","0.0004","9.8922","0.0002","22.6104","0.0005","90","","96.832","0.002","90","","3988.95","0.15","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H17 Cl O4 -","- C25 H17 Cl O4 -","- C200 H136 Cl8 O32 -","8","2","","Yang, Xiao-Chao; Xu, Meng; Wang, Jin-Bao; Liu, Meng-Meng; Mathey, François; Hua, Yuan-Zhao; Wang, Min-Can","Enantioselective synthesis of indanone spiro-isochromanone derivatives via a dinuclear zinc-catalyzed Michael/transesterification tandem reaction.","Organic & biomolecular chemistry","2020","18","20","3917","3926","10.1039/d0ob00541j","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.106","0.1099","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157493","8.2622","0.0007","10.8562","0.001","11.4554","0.0008","83.258","0.004","82.82","0.004","84.193","0.004","1008.49","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O6 -","- C24 H19 N O6 -","- C48 H38 N2 O12 -","2","1","","Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.","Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.","Organic & biomolecular chemistry","2020","18","20","3927","3937","10.1039/d0ob00721h","","","0.71073","MoKα","","0.0828","0.0433","","","0.1025","0.1287","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157494","9.3935","0.0006","10.3136","0.0007","17.8351","0.0012","102.592","0.003","95.138","0.004","101.978","0.003","1633.08","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl N3 O9 -","- C33 H30 Cl N3 O9 -","- C66 H60 Cl2 N6 O18 -","2","1","","Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.","Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.","Organic & biomolecular chemistry","2020","18","20","3927","3937","10.1039/d0ob00721h","","","0.71073","MoKα","","0.0758","0.0498","","","0.1267","0.1504","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157495","12.5521","0.0012","6.6052","0.0006","12.9824","0.0012","90","","113.567","0.003","90","","986.58","0.16","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zou, Chun-Xin; Hou, Zi-Lin; Bai, Ming; Guo, Rui; Lin, Bin; Wang, Xiao-Bo; Huang, Xiao-Xiao; Song, Shao-Jiang","Highly modified steroids from Inonotus obliquus.","Organic & biomolecular chemistry","2020","18","20","3908","3916","10.1039/d0ob00474j","","","1.34139","GaKα","","0.0311","0.0303","","","0.1055","0.1073","","","","","","0.955","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157496","19.2032","0.0009","6.11","0.0003","10.9617","0.0005","90","","103.271","0.001","90","","1251.81","0.1","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34.5 O17.25 -","- C24 H34.5 O17.25 -","- C48 H69 O34.5 -","2","0.5","","St-Gelais, Jacob; Denavit, Vincent; Giguère, Denis","Efficient synthesis of a galectin inhibitor clinical candidate (TD139) using a Payne rearrangement/azidation reaction cascade.","Organic & biomolecular chemistry","2020","18","20","3903","3907","10.1039/d0ob00910e","","x-ray","1.34139","GaKα","","0.0507","0.0507","","","0.1175","0.1176","","","","","","1.147","","","","has coordinates","252915","2020-10-21","18:00:00",""
"7157497","6.4978","0.0004","14.5164","0.0014","16.2262","0.0014","90","","90","","90","","1530.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O3 S2 -","- C17 H11 N O3 S2 -","- C68 H44 N4 O12 S8 -","4","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0933","0.0576","","","0.09","0.1094","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157498","17.5086","0.001","11.7781","0.0008","13.9721","0.0009","90","","92.715","0.006","90","","2878.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N O S2 -","- C17 H11 N O S2 -","- C136 H88 N8 O8 S16 -","8","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0592","0.0461","","","0.1283","0.145","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157499","11.695","0.0005","14.5145","0.0005","15.6982","0.0007","90","","107.486","0.005","90","","2541.59","0.19","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O7 -","- C30 H29 N O7 -","- C120 H116 N4 O28 -","4","1","","Cui, Hai-Lei","FeCl<sub>2</sub> catalyzed direct modification of dihydropyrrolo[2,1-a]isoquinolines with phenols.","Organic & biomolecular chemistry","2020","18","21","4085","4089","10.1039/d0ob00917b","","x-ray","0.71073","MoKα","","0.0525","0.0407","","","0.0972","0.1054","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157500","12.008","0.001","13.0066","0.001","34.139","0.002","90","","90","","90","","5331.9","0.7","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H77 N O6 -","- C57 H77 N O6 -","- C228 H308 N4 O24 -","4","1","","Peng, Xiaogang; Duan, Fangfang; He, Yangzhou; Gao, Ying; Chen, Juan; Chang, Jinling; Ruan, Hanli","Ergocytochalasin A, a polycyclic merocytochalasan from an endophytic fungus Phoma multirostrata XJ-2-1.","Organic & biomolecular chemistry","2020","18","21","4056","4062","10.1039/d0ob00701c","","x-ray","1.54184","CuKα","","0.0366","0.0362","","","0.0954","0.0958","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157501","6.9928","0.0005","7.7011","0.0006","10.3093","0.0009","79.651","0.001","81.793","0.002","80.005","0.001","534.28","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 F N O4 S -","- C8 H12 F N O4 S -","- C16 H24 F2 N2 O8 S2 -","2","1","","Liu, Jing; Wang, Shi-Meng; Qin, Hua-Li","Light-induced [2 + 2] cycloadditions for the construction of cyclobutane-fused pyridinyl sulfonyl fluorides.","Organic & biomolecular chemistry","2020","18","21","4019","4023","10.1039/d0ob00814a","","","0.71073","MoKα","","0.0492","0.0402","","","0.1065","0.1132","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157502","9.3559","0.0002","9.3559","0.0002","60.611","0.003","90","","90","","90","","5305.5","0.3","292.01","0.1","292.01","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C208 H192 N16 O16 S8 -","8","1","","Yang, Junxian; He, Zeyuan; Hong, Liang; Sun, Wangsheng; Wang, Rui","Asymmetric N-aminoalkylation of 3-substituted indoles by N-protected N,O-acetals: an access to chiral propargyl aminals.","Organic & biomolecular chemistry","2020","18","22","4169","4173","10.1039/d0ob00795a","","","1.54184","CuKα","","0.095","0.087","","","0.2483","0.2589","","","","","","0.868","","","","has coordinates,has disorder","253977","2020-10-21","18:00:00",""
"7157503","10.372","0.0003","12.8487","0.0004","21.0007","0.0008","90","","90","","90","","2798.69","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","","1.54184","CuKα","","0.0613","0.0518","","","0.1352","0.1471","","","","","","1.055","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157504","8.947","0.0018","16.934","0.003","18.608","0.004","90","","90","","90","","2819.3","1","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C128 H104 Cl8 N16 O8 -","8","1","","Hu, Fang-Peng; Cui, Xin-Feng; Lu, Guo-Qiang; Huang, Guo-Sheng","Base-promoted Lewis acid catalyzed synthesis of quinazoline derivatives.","Organic & biomolecular chemistry","2020","18","23","4376","4380","10.1039/d0ob00225a","","","0.71073","MoKα","","0.0881","0.0614","","","0.1758","0.2017","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157505","4.9529","0.0007","11.1696","0.0016","13.2334","0.0019","112.623","0.001","99.49","0.002","94.354","0.002","658.67","0.16","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Yang, Huiyong; Xu, Jun; Zhang, Yilan; He, Lei; Zhang, Pengfei; Li, Wanmei","Synthesis of quinazoin-4-ones through an acid ion exchange resin mediated cascade reaction.","Organic & biomolecular chemistry","2020","18","23","4406","4414","10.1039/d0ob00881h","","","0.71073","MoKα","","0.0702","0.0452","","","0.1149","0.1277","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157506","19.7432","0.0016","18.485","0.002","10.3179","0.001","90","","99.181","0.008","90","","3717.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br N2 -","- C19 H23 Br N2 -","- C152 H184 Br8 N16 -","8","2","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71073","MoKα","","0.1642","0.071","","","0.1999","0.2609","","","","","","1.027","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157507","12.988","0.002","15.255","0.002","14.374","0.002","90","","104.275","0.004","90","","2760","0.7","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl4 N3 O -","- C27 Cl4 N3 O -","- C108 Cl16 N12 O4 -","4","1","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.1398","0.1178","","","0.3791","0.4069","","","","","","1.717","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157508","8.5523","0.0011","10.6764","0.0014","20.418","0.003","90","","93.693","0.004","90","","1860.5","0.4","113","","113","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.06","0.0426","","","0.1073","0.1149","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157509","18.7816","0.0014","29.0379","0.0017","19.9928","0.0015","90","","115.493","0.0014","90","","9842","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl N3 O2 -","- C27 H30 Cl N3 O2 -","- C432 H480 Cl16 N48 O32 -","16","4","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.0714","0.0462","","","0.1113","0.1228","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157510","13.9531","0.0013","18.3735","0.0017","12.488","0.0012","90","","90.003","0.003","90","","3201.5","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl N2 O2 -","- C14 H23 Cl N2 O2 -","- C112 H184 Cl8 N16 O16 -","8","2","","He, Xinwei; Yang, Cheng; Wu, Yinsong; Xie, Mengqing; Li, Ruxue; Duan, Jiahui; Shang, Yongjia","Synthesis of unsymmetrical urea derivatives via one-pot sequential three-component reactions of cyclic 2-diazo-1,3-diketones, carbodiimides, and 1,2-dihaloethanes.","Organic & biomolecular chemistry","2020","18","22","4178","4182","10.1039/d0ob00683a","","","0.71073","MoKα","","0.104","0.058","","","0.142","0.1678","","","","","","1.018","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157511","12.7318","0.001","9.1027","0.0007","20.8094","0.0015","90","","96.677","0.002","90","","2395.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NRVS1","","","- C14 H10 N2 O2 S -","- C14 H10 N2 O2 S -","- C112 H80 N16 O16 S8 -","8","2","","Singh, Manpreet; Vaishali, ?; Paul, Avijit Kumar; Singh, Virender","Isatin as a 2-aminobenzaldehyde surrogate: transition metal-free efficient synthesis of 2-(2'-aminophenyl)benzothiazole derivatives.","Organic & biomolecular chemistry","2020","18","23","4459","4469","10.1039/d0ob00888e","","","0.71073","MoKα","","0.0715","0.0415","","","0.1041","0.1191","","","","","","1.069","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7157512","27.604","0.002","7.7285","0.0006","5.8633","0.0005","90","","90","","90","","1250.86","0.17","170","2","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N S2 -","- C14 H11 N S2 -","- C56 H44 N4 S8 -","4","1","","Wang, Dungai; Liang, Xiao; Xiong, Mingteng; Zhu, Heping; Zhou, Yifeng; Pan, Yuanjiang","Synthesis of unsymmetrical disulfides via PPh<sub>3</sub>-mediated reductive coupling of thiophenols with sulfonyl chlorides.","Organic & biomolecular chemistry","2020","18","23","4447","4451","10.1039/d0ob00804d","","","0.71073","MoKα","","0.0319","0.0293","","","0.0754","0.0773","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157513","8.2789","0.0003","13.5084","0.0005","29.7538","0.0012","90","","90","","90","","3327.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H18 B F2 N O2 S -","- C15 H18 B F2 N O2 S -","- C120 H144 B8 F16 N8 O16 S8 -","8","1","","Wei, Jun; Bao, Kun; Wang, Yuan; Sheng, Rong; Hu, Jinbo","Novel usage of 2-BTSO<sub>2</sub>CF<sub>2</sub>H for metal-free electrophilic difluoroalkanethiolation of indoles.","Organic & biomolecular chemistry","2020","18","24","4556","4559","10.1039/d0ob00872a","","","0.71073","MoKα","","0.0869","0.0674","","","0.184","0.2059","","","","","","1.024","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157514","27.487","0.002","11.9733","0.001","19.9835","0.0017","90","","132.48","0.009","90","","4850.5","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 B F2 N4 O6 -","- C59 H59 B F2 N4 O6 -","- C236 H236 B4 F8 N16 O24 -","4","0.5","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-based anion-responsive π-electronic molecules as fluorescence sensors responsive to multiple stimuli.","Organic & biomolecular chemistry","2020","18","23","4433","4438","10.1039/d0ob00952k","","","0.4115","Synchrotron","","0.042","0.0385","","","0.1017","0.1046","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157515","10.6091","0.0005","11.9396","0.0005","20.1405","0.0008","103.598","0.004","99.511","0.004","95.686","0.004","2420.12","0.19","292.01","0.1","292.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O6 -","- C28 H25 N O6 -","- C112 H100 N4 O24 -","4","2","","Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua","P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.","Organic & biomolecular chemistry","2020","18","24","4599","4603","10.1039/d0ob00826e","","","1.54184","CuKα","","0.0751","0.0526","","","0.1282","0.1479","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157516","9.6348","0.0005","10.2842","0.0005","11.504","0.0005","103.149","0.004","104.108","0.004","94.618","0.004","1065.31","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","1","","Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua","P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.","Organic & biomolecular chemistry","2020","18","24","4599","4603","10.1039/d0ob00826e","","x-ray","1.54184","CuKα","","0.0409","0.0377","","","0.0926","0.0952","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157517","25.0521","0.0011","25.0521","0.0011","15.1716","0.0018","90","","90","","90","","9521.8","1.3","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[5]rotaxane","","- C192 H224 B6 F24 N8 O48 -","- C192 H224 B6 F24 N8 O48 -","- C384 H448 B12 F48 N16 O96 -","2","0.25","","Martinez-Bulit, Pablo; Wilson, Benjamin H.; Loeb, Stephen J.","One-pot synthesis of porphyrin-based [5]rotaxanes.","Organic & biomolecular chemistry","2020","18","23","4395","4400","10.1039/d0ob00906g","","x-ray","1.54184","CuKα","","0.2752","0.1892","","","0.4626","0.5216","","","","","","1.677","","","","has coordinates,has disorder","257926","2020-10-21","18:00:00",""
"7157518","10.486","0.005","11.704","0.006","13.581","0.007","87.493","0.009","84.584","0.008","66.838","0.007","1525.5","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H44 B10 O4 -","- C22 H44 B10 O4 -","- C44 H88 B20 O8 -","2","1","","Zhang, Chuyi; Wang, Qian; Tian, Song; Zhang, Jianwei; Li, Jiaoyi; Zhou, Ling; Lu, Jian","Palladium-catalyzed regioselective synthesis of B(4,5)- or B(4)-substituted o-carboranes containing α,β-unsaturated carbonyls.","Organic & biomolecular chemistry","2020","18","25","4723","4727","10.1039/d0ob00698j","","","0.71073","MoKα","","0.112","0.0835","","","0.2398","0.2813","","","","","","1.046","","","","has coordinates","253984","2020-10-21","18:00:00",""
"7157519","9.25182","0.00019","14.2225","0.0003","10.38203","0.00019","90","","106.464","0.002","90","","1310.1","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O S -","- C32 H29 N O S -","- C64 H58 N2 O2 S2 -","2","1","","Li, Ying-Xian; Cheng, Cheng; Tang, Lei; Yang, Yuan-Yong","Palladium catalyzed asymmetric allylic alkylation of isoquinolinedione derivatives in the preparation of quaternary carbon stereocenters.","Organic & biomolecular chemistry","2020","18","24","4551","4555","10.1039/d0ob00765j","","x-ray","1.54184","CuKα","","0.0369","0.036","","","0.1005","0.1027","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157520","18.271","0.003","8.4386","0.0016","12.378","0.0019","90","","93.24","0.006","90","","1905.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O5 -","- C19 H20 N4 O5 -","- C76 H80 N16 O20 -","4","1","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0867","0.0718","","","0.1965","0.2081","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157521","7.2978","0.0006","8.2873","0.0008","14.1639","0.0013","97.85","0.004","94.308","0.003","110.859","0.003","785.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C34 H38 N6 O6 -","2","1","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0465","0.0401","","","0.1082","0.1129","","","","","","1.041","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7157522","6.5916","0.0013","4.0692","0.0007","26.512","0.006","90","","94.367","0.009","90","","709.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C28 H28 Cl2 N6 O4 -","2","1","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0438","0.0352","","","0.0839","0.0876","","","","","","1.075","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7157523","7.016","0.002","16.476","0.006","19.291","0.006","90","","90","","90","","2230","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br3 N O2 -","- C8 H6 Br3 N O2 -","- C64 H48 Br24 N8 O16 -","8","1","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0945","0.0669","","","0.1487","0.1604","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157524","15.726","0.01","10.425","0.005","13.63","0.008","90","","121.565","0.008","90","","1903.9","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Br2 N2 O4 Te -","- C16 H12 Br2 N2 O4 Te -","- C64 H48 Br8 N8 O16 Te4 -","4","0.5","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0437","0.0339","","","0.072","0.0764","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157525","10.0037","0.0001","20.2706","0.0002","13.2122","0.0001","90","","92.231","0.001","90","","2677.15","0.04","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C124 H132 N4 O12 -","4","1","","You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.","Organic & biomolecular chemistry","2020","18","24","4560","4565","10.1039/d0ob00979b","","","1.54184","CuKα","","0.0633","0.0585","","","0.1632","0.169","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157526","9.4791","0.0002","9.7988","0.0002","15.518","0.0004","83.644","0.001","83.34","0.001","62.855","0.001","1271.23","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C62 H66 N2 O6 -","2","1","","You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.","Organic & biomolecular chemistry","2020","18","24","4560","4565","10.1039/d0ob00979b","","","1.54178","CuKα","","0.0403","0.0389","","","0.0931","0.094","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157527","10.205","","23.555","","23.364","","90","","95.62","","90","","5589.21","","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C60-derivative","C60-derivative","","- C96 H31 N O S2 -","- C96 H31 N O S2 -","- C384 H124 N4 O4 S8 -","4","1","","Yang, Yong; Niu, Chuang; Chen, Muqing; Yang, Shangfeng; Wang, Guan-Wu","Electrochemical regioselective alkylations of a [60]fulleroindoline with bulky alkyl bromides.","Organic & biomolecular chemistry","2020","18","25","4783","4787","10.1039/d0ob00876a","","","0.71073","synchrotron","","0.1196","0.1151","","","0.2902","0.2931","","","","","","1.082","","","","has coordinates","253983","2020-10-21","18:00:00",""
"7157528","10.8717","0.0003","10.7087","0.0003","15.1761","0.0004","90","","95.029","0.002","90","","1760.03","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F3 O2 -","- C20 H21 F3 O2 -","- C80 H84 F12 O8 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0365","0.0339","","","0.089","0.0915","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157529","24.336","0.0011","7.1684","0.0003","16.7513","0.0008","90","","90","","90","","2922.3","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 O2 -","- C17 H17 F3 O2 -","- C136 H136 F24 O16 -","8","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0468","0.0369","","","0.0935","0.0989","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157530","12.0518","0.0006","11.0358","0.0004","18.5393","0.0009","90","","103.931","0.005","90","","2393.22","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl F3 O4 -","- C26 H26 Cl F3 O4 -","- C104 H104 Cl4 F12 O16 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0523","0.0458","","","0.1285","0.133","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157531","13.8943","0.0004","9.9889","0.0003","15.0537","0.0004","90","","99.237","0.003","90","","2062.19","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 O4 S -","- C23 H21 F3 O4 S -","- C92 H84 F12 O16 S4 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0352","0.032","","","0.089","0.0912","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157532","12.2311","0.0004","5.5378","0.0002","13.6984","0.0004","90","","95.773","0.002","90","","923.13","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 Se -","- C23 H18 O3 Se -","- C46 H36 O6 Se2 -","2","1","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(i) catalyzed synthesis of selanyl methylene 4-chromanol and aurone derivatives.","Organic & biomolecular chemistry","2020","18","24","4619","4627","10.1039/d0ob00632g","","","0.71073","MoKα","","0.0238","0.0211","","","0.0487","0.0498","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157533","16.6385","0.0013","14.3268","0.0008","7.7041","0.0005","90","","100.731","0.007","90","","1804.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br N2 O3 -","- C20 H17 Br N2 O3 -","- C80 H68 Br4 N8 O12 -","4","1","","Shi, Yaqi; Yang, Fan; Wu, Yangjie","Palladium-catalyzed C8-H alkoxycarbonylation of 1-naphthylamines with alkyl chloroformates.","Organic & biomolecular chemistry","2020","18","24","4628","4637","10.1039/d0ob00586j","","x-ray","1.54184","CuKα","","0.0755","0.0486","","","0.1062","0.1265","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157534","5.2366","0.0001","35.3229","0.0003","14.5684","0.0001","90","","95.522","0.001","90","","2682.24","0.06","120","2","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H56 Cl N3 O14 S -","- C59 H56 Cl N3 O14 S -","- C118 H112 Cl2 N6 O28 S2 -","2","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0415","0.0396","","","0.104","0.1051","","","","","","1.115","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157535","8.1104","0.0002","19.5548","0.0006","27.2321","0.0019","90","","90","","90","","4318.9","0.3","164","2","164","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl N3 O14 -","- C44 H45.9996 Cl N3 O14 -","- C176 H183.998 Cl4 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","","1.54178","CuKα","","0.0813","0.0625","","","0.1705","0.1892","","","","","","1.095","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157536","8.0833","0.0002","18.7876","0.0007","26.8116","0.0012","90","","90","","90","","4071.8","0.3","120","2","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 N3 O14 -","- C43 H45 N3 O14 -","- C172 H180 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0721","0.0564","","","0.1354","0.1464","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157537","10.546","0.003","12.611","0.003","12.642","0.003","109.078","0.003","94.549","0.003","91.826","0.003","1581","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Cl3 N O2 P -","- C33 H37 Cl3 N O2 P -","- C66 H74 Cl6 N2 O4 P2 -","2","1","","Jiang, Shuai-Shuai; Xiao, Yu-Ting; Wu, Yan-Chen; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng","Manganese(iii)-promoted tandem phosphinoylation/cyclization of 2-arylindoles/2-arylbenzimidazoles with disubstituted phosphine oxides.","Organic & biomolecular chemistry","2020","18","25","4843","4847","10.1039/d0ob00877j","","","0.71073","MoKα","","0.0681","0.054","","","0.1406","0.1524","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157538","15.1872","0.0009","16.3092","0.001","34.3428","0.0019","90","","90","","90","","8506.4","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N3 O6 -","- C25 H19 N3 O6 -","- C400 H304 N48 O96 -","16","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.233","0.079","","","0.1212","0.1657","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157539","12.391","0.007","8.165","0.005","21.573","0.012","90","","94.106","0.014","90","","2177","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N3 O5 -","- C25 H16 F3 N3 O5 -","- C100 H64 F12 N12 O20 -","4","1","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.2596","0.0973","","","0.1587","0.224","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157540","10.9534","0.0008","12.5947","0.0013","13.2276","0.001","100.624","0.008","113.849","0.007","110.012","0.008","1453.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl3 N3 O6 -","- C30 H24 Cl3 N3 O6 -","- C60 H48 Cl6 N6 O12 -","2","1","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","","1.54184","CuKα","","0.078","0.063","","","0.1702","0.1833","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157541","14.0485","0.0003","13.9573","0.0003","10.3547","0.0003","90","","99.58","0.002","90","","2002.03","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","0.71073","MoKα","","0.0553","0.0415","","","0.0923","0.0991","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157542","10.8248","0.0001","16.4407","0.0001","12.0407","0.0001","90","","109.771","0.001","90","","2016.53","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 N2 O4 -","- C20 H14 Cl4 N2 O4 -","- C80 H56 Cl16 N8 O16 -","4","2","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.058","0.0585","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157543","7.62","0.0015","43.657","0.016","25.19","0.005","90","","90.53","0.03","90","","8380","4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C90 H51 Cl3 -","- C90 H51 Cl3 -","- C360 H204 Cl12 -","4","1","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","0.76","synchrotron","","0.0697","0.0654","","","0.1904","0.1941","","","","","","1.1","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157544","7.662","0.0016","15.949","0.0011","14.374","0.002","90","","99.232","0.004","90","","1733.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 -","- C56 H32 -","- C112 H64 -","2","0.5","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","0.76","synchrotron","","0.0454","0.0436","","","0.1187","0.1205","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157545","7.9349","0.0002","8.1555","0.0002","11.7247","0.0003","108.099","0.002","92.6644","0.0019","92.6","0.002","718.99","0.03","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br I O2 -","- C15 H10 Br I O2 -","- C30 H20 Br2 I2 O4 -","2","1","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","1.54184","CuKα","","0.0415","0.0407","","","0.109","0.1095","","","","","","1.075","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157546","12.174","0.002","12.709","0.003","12.335","0.003","90","","117.06","0.03","90","","1699.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C80 H64 Cl4 N12 O8 -","4","1","","Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A.","Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction.","Organic & biomolecular chemistry","2020","18","26","5050","5060","10.1039/d0ob00811g","","","0.71073","MoKα","","0.0405","0.0353","","","0.0905","0.0943","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157547","35.957","0.003","6.1171","0.0005","19.5083","0.0015","90","","96.604","0.002","90","","4262.4","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl N3 O3 S -","- C20 H16 Cl N3 O2 -","- C160 H128 Cl8 N24 O16 -","8","1","","Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A.","Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction.","Organic & biomolecular chemistry","2020","18","26","5050","5060","10.1039/d0ob00811g","","","0.71073","MoKα","","0.0764","0.0668","","","0.1951","0.2045","","","","","","1.059","","","","has coordinates,has disorder","255095","2020-10-21","18:00:00",""
"7157548","27.7141","0.0013","6.4562","0.0003","20.6251","0.001","90","","128.18","0.001","90","","2900.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C144 H112 N32 O8 -","8","1","","Bou-Petit, Elisabeth; Plans, Arnau; Rodríguez-Picazo, Nieves; Torres-Coll, Antoni; Puigjaner, Cristina; Font-Bardia, Mercè; Teixidó, Jordi; Ramon Y Cajal, Santiago; Estrada-Tejedor, Roger; Borrell, José I","C4-C5 fused pyrazol-3-amines: when the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions.","Organic & biomolecular chemistry","2020","18","27","5145","5156","10.1039/d0ob00796j","","","0.71073","MoKα","","0.0646","0.0491","","","0.1358","0.1476","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157549","10.0257","0.0007","13.4533","0.0008","10.8045","0.0007","90","","108.456","0.002","90","","1382.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","","Bou-Petit, Elisabeth; Plans, Arnau; Rodríguez-Picazo, Nieves; Torres-Coll, Antoni; Puigjaner, Cristina; Font-Bardia, Mercè; Teixidó, Jordi; Ramon Y Cajal, Santiago; Estrada-Tejedor, Roger; Borrell, José I","C4-C5 fused pyrazol-3-amines: when the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions.","Organic & biomolecular chemistry","2020","18","27","5145","5156","10.1039/d0ob00796j","","","0.71073","MoKα","","0.0862","0.0532","","","0.1301","0.1615","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157550","7.2231","0.0002","14.5123","0.0004","22.3944","0.0006","90","","90","","90","","2347.47","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5","","","- C16 H17 N -","- C16 H17 N -","- C128 H136 N8 -","8","2","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","1.54178","CuKα","","0.0331","0.0318","","","0.0806","0.0818","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157551","27.1498","0.0009","10.3031","0.0003","11.3085","0.0004","90","","91.1403","0.0016","90","","3162.67","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8","","","- C20 H26 N O -","- C20 H26 N O -","- C160 H208 N8 O8 -","8","1","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","0.71073","MoKα","","0.0607","0.046","","","0.1193","0.1303","","","","","","1.039","","","","has coordinates","255096","2020-10-21","18:00:00",""
"7157552","13.2433","0.0003","13.7134","0.0003","15.7312","0.0004","70.848","0.001","80.596","0.001","66.09","0.001","2465.69","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H33 Cl3 F15 N5 O -","- C55 H33 Cl3 F15 N5 O -","- C110 H66 Cl6 F30 N10 O2 -","2","1","","Mori, Daiki; Yoneda, Tomoki; Suzuki, Masaaki; Hoshino, Tyuji; Neya, Saburo","Deprotection of a benzyl unit induces a 22π aromatic macrocycle of 3-oxypyripentaphyrin(0.1.1.1.0) with strong NIR absorption.","Organic & biomolecular chemistry","2020","18","28","5334","5338","10.1039/d0ob01213k","","","1.54187","CuKα","","0.116","0.0841","","","0.2201","0.2495","","","","","","1.12","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157553","12.2776","0.0003","13.0559","0.0003","16.5083","0.0004","105.241","0.001","110.613","0.001","98.939","0.002","2297.85","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H24 Cl6 F15 N5 O -","- C48 H24 Cl6 F15 N5 O -","- C96 H48 Cl12 F30 N10 O2 -","2","1","","Mori, Daiki; Yoneda, Tomoki; Suzuki, Masaaki; Hoshino, Tyuji; Neya, Saburo","Deprotection of a benzyl unit induces a 22π aromatic macrocycle of 3-oxypyripentaphyrin(0.1.1.1.0) with strong NIR absorption.","Organic & biomolecular chemistry","2020","18","28","5334","5338","10.1039/d0ob01213k","","","1.54187","CuKα","","0.1432","0.0965","","","0.2355","0.2705","","","","","","1.049","","","","has coordinates","255085","2020-10-21","18:00:00",""
"7157554","7.9726","0.0002","30.0112","0.0008","11.2602","0.0003","90","","100.176","0.003","90","","2651.82","0.12","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","2","","Young, Matthew J.; Akien, Geoffrey R.; Evans, Nicholas H.","An amide hydrogen bond templated [1]rotaxane displaying a peptide motif - demonstrating an expedient route to synthetic mimics of lasso peptides.","Organic & biomolecular chemistry","2020","18","27","5203","5209","10.1039/d0ob01190h","","x-ray","1.54184","CuKα","","0.0667","0.0639","","","0.1809","0.1835","","","","","","1.074","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157555","10.382","0.003","15.766","0.004","20.036","0.006","90","","90","","90","","3279.5","1.6","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Br N O2 -","- C38 H40 Br N O2 -","- C152 H160 Br4 N4 O8 -","4","1","","Wu, Shu-Fang; Tu, Man-Su; Hang, Qing-Qing; Zhang, Shu; Ding, Haixia; Zhang, Yu-Chen; Shi, Feng","Construction of chiral chroman scaffolds via catalytic asymmetric (4 + 2) cyclizations of para-quinone methide derivatives with 3-vinylindoles.","Organic & biomolecular chemistry","2020","18","28","5388","5399","10.1039/d0ob01049a","","","0.71073","MoKα","","0.1011","0.0594","","","0.1422","0.1594","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157556","25.7843","0.0004","5.307","0.0001","18.5521","0.0003","90","","95.228","0.001","90","","2528.06","0.07","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.75 H27 Br N2 O4 -","- C28.75 H27 Br N2 O4 -","- C115 H108 Br4 N8 O16 -","4","1","","Roesner, Stefan; Beadle, Jonathan D.; Tam, Leo K. B.; Wilkening, Ina; Clarkson, Guy J.; Raubo, Piotr; Shipman, Michael","Development of oxetane modified building blocks for peptide synthesis.","Organic & biomolecular chemistry","2020","18","28","5400","5405","10.1039/d0ob01208d","","x-ray","1.54178","CuKα","","0.0775","0.0722","","","0.1947","0.2005","","","","","","1.054","","","","has coordinates,has disorder","255087","2020-10-21","18:00:00",""
"7157557","11.536","0.002","8.2902","0.0017","18.32","0.004","90","","108.28","0.03","90","","1663.6","0.6","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0626","0.0449","","","0.1149","0.1329","","","","","","1.121","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157558","20.474","0.005","20.474","0.005","9.72","0.003","90","","90","","90","","4074.5","1.9","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C21 H16.5 Br2 O2.25 -","- C21 H16 Br2 O2.25 -","- C168 H128 Br16 O18 -","8","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0829","0.0651","","","0.1948","0.214","","","","","","1.08","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157559","9.99","0.004","10.558","0.004","21.868","0.009","78.978","0.012","77.06","0.01","85.471","0.013","2204.9","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C112 H96 O8 S4 -","4","2","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0707","0.0559","","","0.1213","0.1295","","","","","","1.118","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157560","16.94","0.003","10.721","0.002","10.61","0.002","90","","101.81","0.03","90","","1886.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Br O -","- C25 H17 Br O -","- C100 H68 Br4 O4 -","4","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0601","0.0361","","","0.0855","0.0952","","","","","","0.933","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157561","19.4194","0.0006","6.3668","0.0002","42.5242","0.0013","90","","90","","90","","5257.7","0.3","110","1","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H32 F2 O2 -","- C33 H32 F2 O2 -","- C264 H256 F16 O16 -","8","2","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0995","0.0612","","","0.1448","0.1611","","","","","","0.874","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157562","15.0563","0.0004","9.004","0.0002","17.4709","0.0005","90","","100.4","0.002","90","","2329.57","0.11","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 F2 N2 -","- C27 H26 F2 N2 -","- C108 H104 F8 N8 -","4","1","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0713","0.042","","","0.1121","0.1235","","","","","","0.932","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157563","13.0983","0.0004","14.8761","0.0004","16.8995","0.0005","89.435","0.002","81.488","0.003","87.41","0.003","3253.28","0.17","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H74 Cl4 F4 N4 O5 -","- C70 H74 Cl4 F4 N4 O5 -","- C140 H148 Cl8 F8 N8 O10 -","2","1","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.1524","0.0588","","","0.1371","0.1608","","","","","","0.884","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157564","10.295","0.009","11.374","0.008","36.37","0.03","90","","90","","90","","4259","6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N6 O7 S2 -","- C46 H45 N6 O7 S2 -","- C184 H180 N24 O28 S8 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.3148","0.1246","","","0.2737","0.3622","","","","","","1","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157565","5.4636","0.001","15.231","0.003","18.032","0.004","90","","90","","90","","1500.6","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl2 N4 O4 -","- C11 H20 Cl2 N4 O4 -","- C44 H80 Cl8 N16 O16 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.0587","0.0524","","","0.1395","0.1438","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157566","12.1801","0.00012","12.77485","0.0001","25.8213","0.0002","90","","90","","90","","4017.77","0.06","100","0.1","100.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C176 H184 Cl4 Fe8 N8 O8 P4 Pd8 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher J.","Planar chiral palladacycle precatalysts for asymmetric synthesis.","Organic & biomolecular chemistry","2020","18","28","5466","5472","10.1039/d0ob01331e","","x-ray","0.71073","MoKα","","0.015","0.0147","","","0.0377","0.0378","","","","","","1.068","","","","has coordinates","255088","2020-10-21","18:00:00",""
"7157567","6.155","0.0005","15.283","0.0011","10.6069","0.0009","90","","94.491","0.006","90","","994.69","0.14","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C50 H38 F2 N4 O4 -","2","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Sushmita, ?; Verma, Akhilesh K.","Synthesis of cyclopentaquinolinone and cyclopentapyridinone from ortho-alkynyl-N-arylaldehyde via superbase-promoted C-N, C-O and C-C bond formation.","Organic & biomolecular chemistry","2020","18","29","5594","5601","10.1039/d0ob01281e","","","0.71073","MoKα","","0.0987","0.0579","","","0.1079","0.1348","","","","","","1.007","","","","has coordinates","255081","2020-10-21","18:00:00",""
"7157568","16.8293","0.0003","16.2265","0.0002","20.227","0.0003","90","","109.526","0.0019","90","","5205.93","0.15","141.3","0.2","141.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 F3 N6 O -","- C31 H21 F3 N6 O -","- C248 H168 F24 N48 O8 -","8","2","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0706","0.0632","","","0.1728","0.1825","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157569","12.3316","0.0005","12.7106","0.0005","14.1603","0.0006","90","","90","","90","","2219.51","0.16","139","","139","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0563","0.0539","","","0.1424","0.1454","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157570","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol solvate","2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ethanol solvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates","257924","2020-10-21","18:00:00",""
"7157571","5.6626","0.0004","9.7839","0.0008","32.396","0.002","90","","89.786","0.006","90","","1794.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br O -","- C23 H21 Br O -","- C92 H84 Br4 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","","0.71073","MoKα","","0.0685","0.0464","","","0.0918","0.1026","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157572","9.3505","0.0004","14.6227","0.0006","13.7913","0.0006","90","","94.177","0.004","90","","1880.67","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br2 O -","- C22 H20 Br2 O -","- C88 H80 Br8 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","x-ray","0.71073","MoKα","","0.0442","0.0318","","","0.069","0.0749","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157573","9.541","0.003","16.928","0.005","12.1","0.004","90","","102.664","0.004","90","","1906.7","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br2 N O -","- C23 H17 Br2 N O -","- C92 H68 Br8 N4 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","","0.7107","MoKα","","0.045","0.0365","","","0.0815","0.0832","","","","","","0.941","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157574","8.002","0.0016","12.123","0.002","12.728","0.003","75.11","0.03","76.29","0.03","77.95","0.03","1144.8","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C54 H48 N8 O10 -","2","1","","Cheng, Cheng; Sun, Xiaobin; Miao, Zhiwei","A PPh<sub>3</sub>-catalyzed sequential annulation reaction to construct cyclopentane-fused dihydropyrazolone-pyrrolidinediones.","Organic & biomolecular chemistry","2020","18","29","5577","5581","10.1039/d0ob00815j","","","0.71073","MoKα","","0.0849","0.0524","","","0.1247","0.1699","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157575","9.2914","0.0001","14.7113","0.0002","9.9029","0.0001","90","","94.55","0.001","90","","1349.35","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1S,2R)-2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2-fluorophenyl)-2-phenylethyl)furan-3-carbaldehyde","","- C33 H35 F O3 -","- C33 H35 F O3 -","- C66 H70 F2 O6 -","2","1","","Przydacz, Artur; Dyguda, Mateusz; Topolska, Aleksandra; Skrzyńska, Anna; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Doubly vinylogous and doubly rearomative functionalization of 2-alkyl-3-furfurals.","Organic & biomolecular chemistry","2020","18","30","5816","5821","10.1039/d0ob00788a","","x-ray","1.54184","CuKα","","0.032","0.0313","","","0.0927","0.0931","","","","","","1.079","","","","has coordinates","257912","2020-10-21","18:00:00",""
"7157576","12.1334","0.0013","10.35","0.0011","18.7632","0.0018","90","","95.327","0.01","90","","2346.1","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O4 -","- C29 H30 O4 -","- C116 H120 O16 -","4","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.1488","0.0691","","","0.1184","0.163","","","","","","1.006","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157577","19.904","0.0006","11.4024","0.0004","21.6619","0.0007","90","","90","","90","","4916.2","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H30 O4 -","- C29 H30 O4 -","- C232 H240 O32 -","8","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.0628","0.0498","","","0.1223","0.1309","","","","","","1.164","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157578","8.648","0.0007","17.1737","0.0013","18.084","0.0017","90","","98.244","0.008","90","","2658","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 -","- C30 H30 O4 -","- C120 H120 O16 -","4","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.1276","0.0738","","","0.1989","0.271","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157579","8.1345","0.0002","11.3251","0.0003","19.1576","0.0005","90","","92.945","0.007","90","","1762.54","0.08","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 Cl -","- C26 H15 Cl -","- C104 H60 Cl4 -","4","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.0774","0.0581","","","0.1402","0.1529","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157580","7.5655","0.0002","10.9027","0.0003","11.088","0.0003","113.594","0.008","103.447","0.007","93.898","0.007","801.74","0.08","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 Cl -","- C23 H17 Cl -","- C46 H34 Cl2 -","2","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.0508","0.0459","","","0.1253","0.1279","","","","","","1.113","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157581","19.2706","0.0014","4.9741","0.0004","33.688","0.002","90","","102.847","0.007","90","","3148.3","0.4","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cl -","- C23 H17 Cl -","- C184 H136 Cl8 -","8","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.1933","0.0883","","","0.132","0.1586","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157582","10.333","0.004","10.46","0.004","11.583","0.005","88.838","0.005","68.455","0.005","79.684","0.006","1144.2","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O2 -","- C29 H20 F3 N O2 -","- C58 H40 F6 N2 O4 -","2","1","","Zhang, Yi-Zhu; Sheng, Feng-Tao; Zhu, Zuoquan; Li, Zhi-Ming; Zhang, Shu; Tan, Wei; Shi, Feng","Organocatalytic C3-functionalization of indolizines: synthesis of biologically important indolizine derivatives.","Organic & biomolecular chemistry","2020","18","29","5688","5696","10.1039/d0ob01230k","","","0.71073","MoKα","","0.0887","0.0555","","","0.142","0.1617","","","","","","1.034","","","","has coordinates,has disorder","255078","2020-10-21","18:00:00",""
"7157583","4.837","0.0016","12.644","0.004","18.82","0.007","90","","91.7","0.006","90","","1150.5","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F3 O3 S -","- C10 H9 F3 O3 S -","- C40 H36 F12 O12 S4 -","4","1","","Wang, Meng-Yue; Zhu, Xue-Qing; Zhang, Xing-Long; Guo, Rui-Li; Jia, Qiong; Wang, Yong-Qiang","Synthesis of trifluoromethylthioesters from aldehydes via a visible light-promoted radical process.","Organic & biomolecular chemistry","2020","18","30","5918","5926","10.1039/d0ob01160f","","","0.71073","MoKα","","0.0861","0.0512","","","0.116","0.1315","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157584","23.1727","0.0009","29.8856","0.0016","8.3703","0.0003","90","","90","","90","","5796.7","0.4","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(E)-11,13-bis(benzyloxy)-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C33 H36 O5 -","- C33 H36 O5 -","- C264 H288 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","1.54178","CuKα","","0.1735","0.1103","","","0.2688","0.3518","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157585","7.2297","0.0006","15.8502","0.0009","25.683","0.002","90","","95.935","0.007","90","","2927.3","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-11,13-bis(benzyloxy)-9-ethyl-4,5,5-trimethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C34 H38 O5 -","- C34 H38 O5 -","- C136 H152 O20 -","4","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.1988","0.1002","","","0.1559","0.2032","","","","","","1.135","","","","has coordinates,has disorder","301861","2025-08-22","11:13:08",""
"7157586","11.1913","0.0005","36.617","0.002","8.3725","0.0005","90","","90","","90","","3431","0.3","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","","(E)-14-chloro-11,13-dihydroxy-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C19 H23 Cl O5 -","- C19 H23 Cl O5 -","- C152 H184 Cl8 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.0651","0.0472","","","0.1008","0.114","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157587","7.5792","0.0005","17.262","0.0008","7.5865","0.0003","90","","95.065","0.005","90","","988.68","0.09","293.61","0.1","293.61","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0573","0.0451","","","0.1163","0.1279","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157588","32.6901","0.0005","12.36143","0.00017","7.35394","0.00011","90","","90","","90","","2971.7","0.08","294.04","0.1","294.04","0.1","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0445","0.0396","","","0.1035","0.1081","","","","","","1.028","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157589","10.2175","0.0005","13.7827","0.0005","12.933","0.0005","90","","111.529","0.005","90","","1694.22","0.14","293.83","0.1","293.83","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.062","0.0508","","","0.1343","0.1469","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157590","8.3946","0.0002","11.481","0.0003","15.2872","0.0004","90","","90","","90","","1473.36","0.06","292.64","0.1","292.64","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0319","0.0288","","","0.0696","0.0718","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157591","27.5479","0.0008","6.3331","0.0002","18.4336","0.0005","90","","91.28","0.003","90","","3215.19","0.16","292.1","0.1","292.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0432","0.0391","","","0.1074","0.1114","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157592","9.8324","0.0003","10.2354","0.0003","15.6234","0.0005","103.229","0.001","97.742","0.001","105.191","0.001","1445.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N O3 -","- C38 H29 N O3 -","- C76 H58 N2 O6 -","2","1","","Yang, Ye-Fei; Huang, Xiao-Bo; Gao, Wen-Xia; Zhou, Yun-Bing; Liu, Miao-Chang; Wu, Hua-Yue","Ag<sub>2</sub>O-promoted ring-opening reactions of cyclopropenones with oximes.","Organic & biomolecular chemistry","2020","18","30","5822","5825","10.1039/d0ob00601g","","","0.71073","MoKα","","0.0554","0.041","","","0.0995","0.111","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157593","9.0969","0.0008","11.7978","0.0008","14.1107","0.0011","90","","97.79","0.008","90","","1500.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O S2 -","- C15 H14 N2 O S2 -","- C60 H56 N8 O4 S8 -","4","1","","Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals.","Organic & biomolecular chemistry","2020","18","32","6407","6417","10.1039/d0ob00998a","","","0.71073","MoKα","","0.0551","0.0425","","","0.107","0.1326","","","","","","0.425","","","","has coordinates","256161","2020-10-21","18:00:00",""
"7157594","8.4509","0.0008","10.7362","0.0009","11.5735","0.0009","108.414","0.007","104.992","0.007","100.036","0.007","924.09","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Br N3 O2 S -","- C20 H14 Br N3 O2 S -","- C40 H28 Br2 N6 O4 S2 -","2","1","","Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals.","Organic & biomolecular chemistry","2020","18","32","6407","6417","10.1039/d0ob00998a","","","0.71073","MoKα","","0.1028","0.0661","","","0.2086","0.2492","","","","","","0.864","","","","has coordinates","256161","2020-10-21","18:00:00",""
"7157595","8.2991","0.0006","9.0692","0.0006","13.6609","0.0009","94.077","0.005","104.535","0.006","105.981","0.006","945.91","0.12","298","","298","","","","","","","","","3","P -1","-P 1","2","","abc","","- C23 H26 N2 -","- C23 H26 N2 -","- C46 H52 N4 -","2","1","","Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra","Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.","Organic & biomolecular chemistry","2020","18","32","6276","6286","10.1039/d0ob01318h","","x-ray","0.71073","MoKα","","0.1232","0.063","","","0.1249","0.1583","","","","","","1.0431","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157596","9.0216","0.0003","10.1719","0.0003","17.318","0.0007","90","","101.519","0.004","90","","1557.21","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","prs315B","","- C18 H17 N S -","- C18 H17 N S -","- C72 H68 N4 S4 -","4","1","","Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra","Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.","Organic & biomolecular chemistry","2020","18","32","6276","6286","10.1039/d0ob01318h","","x-ray","0.71073","MoKα","","0.0675","0.045","","","0.0899","0.099","","","","","","1.0456","","","","has coordinates","297561","2025-02-01","07:07:34",""
"7157597","7.6988","0.0002","11.4847","0.0003","30.9861","0.0009","90","","90","","90","","2739.74","0.13","100","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C136 H104 N8 O16 S8 -","8","1","","Dai, Tianzi; Cui, Chen; Qi, Xueyu; Cheng, Yanshu; He, Qian; Zhang, Xiaofei; Luo, Xiaomin; Yang, Chunhao","Regioselective synthesis of substituted thiazoles via cascade reactions from 3-chlorochromones and thioamides.","Organic & biomolecular chemistry","2020","18","31","6162","6170","10.1039/d0ob01019g","","","0.71073","MoKα","","0.0635","0.0447","","","0.0974","0.1082","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157598","7.4364","0.0005","26.4068","0.0016","8.4485","0.0005","90","","94.973","0.002","90","","1652.8","0.18","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","0.71073","MoKα","","0.0477","0.0461","","","0.1078","0.1089","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157599","9.9907","0.0002","8.1808","0.0002","19.0908","0.0005","90","","90.216","0.001","90","","1560.32","0.06","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 S -","- C19 H13 N O3 S -","- C76 H52 N4 O12 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","1.54184","CuKα","","0.0622","0.0589","","","0.1253","0.1269","","","","","","1.226","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157600","8.107","0.007","11.495","0.009","19.194","0.016","90","","93.585","0.01","90","","1785","3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","0.71073","MoKα","","0.1832","0.0956","","","0.2265","0.3164","","","","","","0.966","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157601","19.975","0.008","4.999","0.002","17.26","0.007","90","","110.614","0.007","90","","1613.1","1.1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Cheng, Bin; Li, Hui; Duan, Shengguo; Zhang, Xinping; He, Yixuan; Li, Yuntong; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of indolizines from pyridinium 1,4-zwitterionic thiolates and propiolic acid derivatives via a formal [4 + 1] pathway.","Organic & biomolecular chemistry","2020","18","32","6253","6257","10.1039/d0ob01398f","","","0.71073","MoKα","","0.1179","0.0609","","","0.1694","0.2168","","","","","","0.996","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157602","12.4739","0.0014","7.4371","0.0008","16.2909","0.0019","90","","110.59","0.005","90","","1414.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Aegurla, Balakrishna; Jarwal, Nisha; Peddinti, Rama Krishna","Denitrative imino-diaza-Nazarov cyclization: synthesis of pyrazoles.","Organic & biomolecular chemistry","2020","18","31","6100","6107","10.1039/d0ob01200a","","","0.71073","MoKα","","0.069","0.0472","","","0.1347","0.1794","","","","","","0.597","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157603","7.4922","0.0019","10.184","0.003","11.624","0.003","87.81","0.004","75.567","0.004","79.756","0.004","845.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 B F4 I O2 -","- C16 H18 B F4 I O2 -","- C32 H36 B2 F8 I2 O4 -","2","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.03","0.0283","","","0.0702","0.0709","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157604","12.965","0.002","11.911","0.002","13.389","0.002","90","","102.163","0.003","90","","2021.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 B F4 I O2 -","- C21 H20 B F4 I O2 -","- C84 H80 B4 F16 I4 O8 -","4","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0358","0.0308","","","0.0735","0.0758","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:13:08",""
"7157605","11.995","0.005","14.196","0.006","22.602","0.01","90","","90","","90","","3849","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B F4 I O -","- C21 H18 B F4 I O -","- C168 H144 B8 F32 I8 O8 -","8","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0528","0.0388","","","0.0814","0.0862","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157606","8.4537","0.0014","11.6591","0.0019","12.124","0.002","66.609","0.002","87.336","0.003","76.601","0.002","1065.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F3 I O4 S -","- C22 H18 F3 I O4 S -","- C44 H36 F6 I2 O8 S2 -","2","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0323","0.0299","","","0.0735","0.0747","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157607","13.148","0.003","13.175","0.002","16.115","0.003","83.966","0.003","86.472","0.003","60.099","0.003","2406.4","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 I O4 S -","- C28 H25 I O4 S -","- C112 H100 I4 O16 S4 -","4","2","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0503","0.0377","","","0.0713","0.075","","","","","","0.947","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157608","15.542","0.0006","16.5195","0.0006","20.2175","0.0007","74.481","0.002","69.188","0.002","67.602","0.002","4433.3","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H117 N3 O18 S3 -","- C90 H117 N3 O18 S3 -","- C180 H234 N6 O36 S6 -","2","1","","Cera, Gianpiero; Balestri, Davide; Bazzoni, Margherita; Marchiò, Luciano; Secchi, Andrea; Arduini, Arturo","Trisulfonamide calix[6]arene-catalysed Michael addition to nitroalkenes.","Organic & biomolecular chemistry","2020","18","32","6241","6246","10.1039/d0ob01319f","","","1.54178","CuKα","","0.1658","0.0698","","","0.154","0.1963","","","","","","1.003","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157609","15.8835","0.0003","7.9818","0.0002","18.7804","0.0004","90","","98.45","0.001","90","","2355.11","0.09","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis,trans-indigo dimer","","","- C32 H18 N4 O4 -","- C32 H18 N4 O4 -","- C128 H72 N16 O16 -","4","1","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","0.71073","MoKα","","0.063","0.0474","","","0.1199","0.1297","","","","","","1.048","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157610","39.337","0.003","13.8936","0.001","28.683","0.002","90","","93.498","0.004","90","","15647","2","90","2","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H17.07 N2.13 O3.2 -","- C28 H17.0667 N2.13333 O3.2 -","- C840 H512 N64 O96 -","30","3.75","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","0.71073","MoKα","","0.0763","0.0522","","","0.1395","0.1575","","","","","","0.988","","","","has coordinates,has disorder","257913","2020-10-21","18:00:00",""
"7157611","27.7629","0.0015","10.8917","0.0006","17.5795","0.0009","90","","113.574","0.004","90","","4872.1","0.5","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis,cis-indigo dimer","","","- C32 H19 N4 O4.5 -","- C32 H19 N4 O4.5 -","- C256 H152 N32 O36 -","8","1","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","1.54184","CuKα","","0.0552","0.0382","","","0.0836","0.0914","","","","","","1.016","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157612","8.2647","0.0004","19.7204","0.0011","11.6058","0.0006","90","","95.308","0.002","90","","1883.44","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Br N O4 S -","- C21 H16 Br N O4 S -","- C84 H64 Br4 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0372","0.0278","","","0.0598","0.0629","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157613","11.8834","0.0007","8.8469","0.0005","23.6723","0.0012","90","","91.109","0.002","90","","2488.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N2 O5 -","- C31 H23 N2 O5 -","- C124 H92 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0692","0.0571","","","0.153","0.1635","","","","","","1.034","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157614","13.1453","0.0016","12.9849","0.0018","16.874","0.003","90","","96.328","0.005","90","","2862.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br2 N2 O5 -","- C33 H27 Br2 N2 O5 -","- C132 H108 Br8 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.1029","0.0504","","","0.1123","0.1318","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157615","13.89","0.0007","16.8786","0.0009","17.2527","0.0009","64.295","0.002","88.306","0.002","73.213","0.002","3467.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H28 N2 O5 -","- C39 H28 N2 O5 -","- C156 H112 N8 O20 -","4","2","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0901","0.0572","","","0.1346","0.1558","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157616","13.3171","0.0006","15.1045","0.0007","16.7543","0.0006","77.235","0.002","76.167","0.002","67.821","0.003","2998","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 Br2 N2 O6 -","- C33 H28 Br2 N2 O6 -","- C132 H112 Br8 N8 O24 -","4","2","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0597","0.0376","","","0.0805","0.0879","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157617","10.533","0.0004","26.861","0.0011","12.2233","0.0005","90","","115.334","0.001","90","","3125.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Br2 Cl3 N2 O5 -","- C33 H24 Br2 Cl3 N2 O5 -","- C132 H96 Br8 Cl12 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","1.54178","CuKα","","0.0531","0.0518","","","0.1341","0.143","","","","","","1.12","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157618","10.9174","0.0014","11.9111","0.0014","12.3891","0.0014","69.112","0.011","87.877","0.01","65.53","0.012","1358.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Cl2 N2 O5 -","- C31 H22 Cl2 N2 O5 -","- C62 H44 Cl4 N4 O10 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.193","0.1112","","","0.2688","0.3225","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157619","10.8001","0.0006","11.3693","0.0006","13.4193","0.0005","89.11","0.004","67.91","0.004","68.542","0.005","1406.67","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Cl2 N2 O5 -","- C31 H22 Cl2 N2 O5 -","- C62 H44 Cl4 N4 O10 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","x-ray","0.71073","MoKα","","0.1426","0.0846","","","0.2025","0.2297","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157620","9.29096","0.00014","14.5006","0.0002","20.3184","0.0003","90","","90","","90","","2737.39","0.07","291.6","0.2","291.6","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C80 H108 N28 O48 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","1.54184","CuKα","","0.0574","0.054","","","0.143","0.1492","","","","","","1.038","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157621","19.7672","0.0008","19.7672","0.0008","23.6968","0.0012","90","","90","","120","","8018.8","0.6","293","2","293.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C40 H35 N7 O12 -","- C40 H35 N7 O12 -","- C240 H210 N42 O72 -","6","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1515","0.0819","","","0.2096","0.2662","","","","","","1.035","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157622","8.6304","0.0006","10.8741","0.0009","22.9325","0.0014","90","","90","","90","","2152.2","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl3 N6 O8 -","- C14 H16 Cl3 N6 O8 -","- C56 H64 Cl12 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0806","0.0594","","","0.142","0.1562","","","","","","1.03","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157623","8.6075","0.0007","10.7485","0.0009","33.736","0.003","90","","90","","90","","3121.2","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N10 O10 -","- C18 H24 N10 O10 -","- C72 H96 N40 O40 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0974","0.0717","","","0.1976","0.2188","","","","","","0.966","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157624","7.2784","0.0007","9.2019","0.001","26.166","0.003","90","","90","","90","","1752.5","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N6 O8 -","- C13 H16 N6 O8 -","- C52 H64 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0687","0.0461","","","0.0845","0.095","","","","","","1.018","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157625","9.2129","0.0004","40.7685","0.0017","12.8563","0.0005","90","","90.32","0.003","90","","4828.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C136 H176 N48 O88 -","8","4","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0741","0.0499","","","0.1143","0.1318","","","","","","1.015","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157626","12.9906","0.0004","11.1438","0.0004","14.8377","0.0007","90","","103.257","0.004","90","","2090.73","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H39 F3 N8 O13 -","- C37 H39 F3 N8 O13 -","- C74 H78 F6 N16 O26 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0802","0.0533","","","0.1204","0.1378","","","","","","1.031","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157627","7.7778","0.0005","13.2995","0.001","11.4128","0.0006","90","","91.458","0.005","90","","1180.17","0.13","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C34 H44 N12 O22 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0617","0.041","","","0.0881","0.0994","","","","","","1.047","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157628","9.6273","0.0012","8.8714","0.001","16.549","0.002","90","","101.469","0.011","90","","1385.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C40 H54 N14 O24 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1129","0.0495","","","0.0969","0.1215","","","","","","0.95","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157629","7.5291","0.0008","7.4902","0.0008","17.0281","0.0019","90","","90","","90","","960.29","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.0385","0.0376","","","0.1034","0.1042","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157630","7.3607","0.0008","8.0406","0.0011","17.598","0.002","90","","90","","90","","1041.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.1305","0.083","","","0.2006","0.2428","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157631","10.5627","0.0003","8.8564","0.0003","19.8868","0.0007","90","","98.7088","0.0009","90","","1838.91","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17.19 N3 O1.1 -","- C24 H17.196 N3 O1.098 -","- C96 H68.784 N12 O4.392 -","4","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0399","0.0365","","","0.0919","0.0964","","","","","","1.018","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157632","19.1254","0.0004","5.4936","0.0001","11.5714","0.0003","90","","98.8783","0.0009","90","","1201.21","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0473","0.0444","","","0.1113","0.1148","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157633","26.7209","0.0006","15.6427","0.0003","11.8698","0.0003","90","","104.361","0.0004","90","","4806.38","0.19","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.25 H14.5 Br3 Cl0.5 N3 O -","- C24.25 H14.5 Br3 Cl0.5 N3 O -","- C194 H116 Br24 Cl4 N24 O8 -","8","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0655","0.0628","","","0.1673","0.1701","","","","","","1.05","","","","has coordinates,has disorder","256164","2020-10-21","18:00:00",""
"7157634","10.4157","0.0002","10.5063","0.0002","11.3815","0.0002","112.529","0.0008","108.753","0.0008","99.9684","0.0008","1024.96","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C54 H46 N6 O2 -","2","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0437","0.0382","","","0.0935","0.1013","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157635","14.1319","0.0005","3.8682","0.0001","15.5153","0.0005","90","","110.946","0.001","90","","792.1","0.04","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","2","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.027","0.026","","","0.0687","0.0704","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157636","15.2304","0.0014","9.1246","0.0008","22.238","0.002","90","","95.627","0.001","90","","3075.6","0.5","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C136 H224 O32 -","8","2","","Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka","Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.","Organic & biomolecular chemistry","2020","18","37","7316","7320","10.1039/d0ob01430c","","","0.71073","MoKα","","0.0596","0.0511","","","0.1352","0.1432","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157637","10.559","0.002","8.9149","0.0017","19.341","0.004","90","","92.146","0.002","90","","1819.3","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka","Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.","Organic & biomolecular chemistry","2020","18","37","7316","7320","10.1039/d0ob01430c","","","0.71073","MoKα","","0.0444","0.0362","","","0.0896","0.0955","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157638","9.4421","0.0002","14.8451","0.0004","19.2118","0.0004","90","","90","","90","","2692.9","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 S4 -","- C28 H30 N2 O3 S4 -","- C112 H120 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0433","0.0401","","","0.0987","0.1003","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157639","23.7837","0.0004","23.7837","0.0004","21.6038","0.0004","90","","90","","120","","10583.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H18 N2 O3 S4 -","- C22 H18 N2 O3 S4 -","- C396 H324 N36 O54 S72 -","18","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0367","0.0342","","","0.098","0.0996","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157640","12.482","0.0004","12.8583","0.0005","19.5132","0.0007","90","","90","","90","","3131.82","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 N2 O3 S4 -","- C34 H26 N2 O3 S4 -","- C136 H104 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.069","0.0555","","","0.0856","0.0887","","","","","","1.113","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157641","7.1264","0.001","19.867","0.0019","19.419","0.003","90","","94.326","0.014","90","","2741.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N3 -","- C16 H12 Br N3 -","- C128 H96 Br8 N24 -","8","2","","Chatterjee, Arpita; Murmu, Chudamani; Peruncheralathan, S.","Copper-catalysed <i>N</i>-arylation of 5-aminopyrazoles: a simple route to pyrazolo[3,4-<i>b</i>]indoles.","Organic & biomolecular chemistry","2020","18","33","6571","6581","10.1039/d0ob00812e","","x-ray","0.71073","MoKα","","0.1888","0.0994","","","0.2041","0.2384","","","","","","1.127","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157642","59.6625","0.0008","17.3644","0.0002","11.0242","0.0001","90","","90","","90","","11421.1","0.2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","(5aR*,8aS*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C36.5 H28 Cl2 O4 -","- C36.5 H28 Cl2 O4 -","- C584 H448 Cl32 O64 -","16","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0316","0.031","","","0.0813","0.0817","","","","","","1.046","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157643","15.2283","0.0002","9.8746","0.0001","18.4264","0.0002","90","","110.126","0.002","90","","2601.65","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5aS*,8aR*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C33 H24 Cl2 O4 -","- C33 H24 Cl2 O4 -","- C132 H96 Cl8 O16 -","4","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0365","0.0348","","","0.0912","0.0925","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157644","17.6367","0.0015","13.5661","0.0012","14.5573","0.0013","90","","90","","90","","3483","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C168 H128 N16 O32 -","8","1","","Sharma, Suraj; Dutta, Nibedita Baruah; Bhuyan, Mayurakhi; Das, Babulal; Baishya, Gakul","<i>tert</i>-Butylhydroperoxide (TBHP) mediated oxidative cross-dehydrogenative coupling of quinoxalin-2(1<i>H</i>)-ones with 4-hydroxycoumarins, 4-hydroxy-6-methyl-2-pyrone and 2-hydroxy-1,4-naphthoquinone under metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6537","6548","10.1039/d0ob01304h","","","0.71073","MoKα","","0.0716","0.0559","","","0.1459","0.1644","","","","","","1.18","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157645","9.621","0.002","8.003","0.002","33.196","0.009","90","","90","","90","","2556","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C96 H128 N16 O32 -","8","2","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.093","0.0603","","","0.1467","0.1688","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157646","8.0617","0.0006","26.398","0.003","11.8969","0.0014","90","","91.684","0.002","90","","2530.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br N2 O5 -","- C26 H27 Br N2 O5 -","- C104 H108 Br4 N8 O20 -","4","1","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.1027","0.044","","","0.0795","0.0995","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157647","10.495","0.002","21.897","0.004","7.842","0.0016","90","","96.57","0.03","90","","1790.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Ma, Liyao; Ou, Pengcheng; Huang, Xueliang","Divergent synthesis of 1,3,5-tri and 1,3-disubstituted pyrazoles under transition metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6487","6491","10.1039/d0ob01478h","","","0.71073","MoKα","","0.1035","0.0709","","","0.1888","0.2131","","","","","","1.198","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157648","13.5094","0.0016","11.092","0.0009","21.2668","0.0018","90","","90","","90","","3186.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Yang, Fazhou; Liu, Ziyan; Liu, Hao; Shangguan, Yu; Deng, Hao; Huang, Jiaxing; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng","Cu-Catalysed synthesis of benzo[f]indole-2,4,9(3H)-triones by the reaction of 2-amino-1,4-napthoquinones with α-bromocarboxylates.","Organic & biomolecular chemistry","2020","18","34","6724","6731","10.1039/d0ob00291g","","x-ray","0.71073","MoKα","","0.0607","0.0446","","","0.1005","0.1093","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157649","15.0501","0.0004","23.9887","0.0008","6.1915","0.0002","90","","90","","90","","2235.33","0.12","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0771","0.0508","","","0.1212","0.1375","","","","","","1.029","","","","has coordinates","258952","2020-11-06","13:08:23",""
"7157650","15.0587","0.0011","11.9394","0.0009","11.6556","0.0008","90","","90.844","0.004","90","","2095.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F2 N3 O4 S2 -","- C19 H23 F2 N3 O4 S2 -","- C76 H92 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0475","0.0368","","","0.0936","0.1008","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157651","10.5857","0.0003","14.0014","0.0004","17.5197","0.0005","90","","90","","90","","2596.68","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl5 D N3 O4 S2 -","- C20 H23 Cl5 D N3 O4 S2 -","- C80 H92 Cl20 D4 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0286","0.0267","","","0.0648","0.0658","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157652","15.0515","0.0005","23.4696","0.0008","6.1833","0.0002","90","","90","","90","","2184.27","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.06","0.0395","","","0.0953","0.1106","","","","","","1.087","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157653","15.1555","0.0007","24.3132","0.0012","6.1544","0.0003","90","","90","","90","","2267.77","0.19","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Br2 N3 O4 S2 -","- C19 H23 Br2 N3 O4 S2 -","- C76 H92 Br8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0816","0.0417","","","0.0793","0.0931","","","","","","1.011","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157654","10.4481","0.0002","14.3121","0.0003","16.4591","0.0003","90","","90","","90","","2461.2","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C80 H92 Cl12 D4 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0417","0.0347","","","0.0796","0.083","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157655","15.4374","0.0004","24.9622","0.0006","6.1336","0.0002","90","","90","","90","","2363.59","0.11","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0474","0.0383","","","0.0815","0.0854","","","","","","1.11","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157656","15.4193","0.0004","24.5788","0.0007","6.1039","0.0002","90","","90","","90","","2313.3","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0303","0.0253","","","0.0523","0.0543","","","","","","1.198","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157657","31.5358","0.001","31.5358","0.001","5.2684","0.0002","90","","90","","90","","5239.5","0.3","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C224 H256 O64 -","8","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0977","0.0514","","","0.136","0.1715","","","","","","0.939","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157658","21.741","0.004","13.765","0.002","21.012","0.003","90","","90","","90","","6288.2","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C68 H62 N4 O13 -","- C68 H60 N4 O13 -","- C272 H240 N16 O52 -","4","0.25","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0711","0.0635","","","0.1733","0.182","","","","","","1.103","","","","has coordinates,has disorder","256177","2020-10-21","18:00:00",""
"7157659","13.8872","0.0004","9.9072","0.0003","19.4383","0.0006","90","","90.026","0.002","90","","2674.38","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C128 H104 N8 O16 -","4","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.1077","0.0534","","","0.1333","0.1655","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157660","7.0483","0.00016","9.642","0.0002","17.816","0.0004","90","","93.573","0.002","90","","1208.42","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","0.71073","MoKα","","0.0427","0.0377","","","0.0931","0.0966","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157661","11.1412","0.0002","8.63104","0.00012","12.612","0.0002","90","","98.0678","0.0017","90","","1200.77","0.03","100","0.14","100","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0326","0.03","","","0.0752","0.0771","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157662","23.1618","0.0008","6.1459","0.0002","20.0176","0.0006","90","","95.672","0.003","90","","2835.56","0.16","99.8","0.3","99.8","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N O6 -","- C14 H17 N O6 -","- C112 H136 N8 O48 -","8","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0492","0.0414","","","0.1088","0.1174","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157663","13.962","0.0003","8.28868","0.00013","17.5984","0.0003","90","","112.379","0.002","90","","1883.22","0.07","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0524","0.0479","","","0.126","0.1307","","","","","","1.056","","","","has coordinates,has disorder","256178","2020-10-21","18:00:00",""
"7157664","6.7441","0.0002","9.9379","0.0003","12.0364","0.0005","69.995","0.003","75.972","0.003","81.277","0.002","733.33","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-heptyl-[1,2,4]triazolo[4,3-a]quinoline","","- C17 H21 N3 -","- C17 H21 N3 -","- C34 H42 N6 -","2","1","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander","Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity.","Organic & biomolecular chemistry","2020","18","34","6651","6664","10.1039/d0ob01007c","","x-ray","1.54184","CuKα","","0.0454","0.0402","","","0.1132","0.1192","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157665","9.1934","0.0005","10.6902","0.0005","18.2767","0.0008","90","","100.449","0.005","90","","1766.43","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-methyl-[1,2,4]triazolo[4,3-a]quinoline","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","2","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander","Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity.","Organic & biomolecular chemistry","2020","18","34","6651","6664","10.1039/d0ob01007c","","x-ray","1.54184","CuKα","","0.0462","0.0401","","","0.1074","0.1147","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157666","35.445","0.007","36.434","0.007","45.806","0.009","90","","90","","90","","59154","2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C134 H130 Cl6 F6 N18 O19 -","- C134 H130 Cl6 F6 N18 O19 -","- C2144 H2080 Cl96 F96 N288 O304 -","16","2","","Yang, Ling; Ma, Chunmiao; Kauffmann, Brice; Li, Dongyao; Gan, Quan","Absolute handedness control of oligoamide double helices by chiral oxazolylaniline induction.","Organic & biomolecular chemistry","2020","18","34","6643","6650","10.1039/d0ob01503b","","","0.72","MoKa","","0.1293","0.1057","","","0.2866","0.3176","","","","","","1.291","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157667","5.0392","0.0002","8.4897","0.0003","38.3953","0.0013","90","","90","","90","","1642.6","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H30 O S2 -","- C15 H30 O S2 -","- C60 H120 O4 S8 -","4","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0313","0.0278","","","0.0689","0.0712","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157668","19.7501","0.0018","19.7501","0.0018","7.4965","0.0006","90","","90","","90","","2924.1","0.4","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C5 H9 O S2 -","- C5 H10 O S2 -","- C80 H160 O16 S32 -","16","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0609","0.0403","","","0.0934","0.1126","","","","","","1.134","","","","has coordinates","256165","2020-10-21","18:00:00",""
"7157669","5.866","0.0005","8.1481","0.0008","18.3926","0.0018","90","","90","","90","","879.11","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 -","- C20 H18 N6 -","- C40 H36 N12 -","2","0.5","","Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.","L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.","Organic & biomolecular chemistry","2020","18","33","6514","6518","10.1039/d0ob01363c","","","0.71073","MoKα","","0.1026","0.0588","","","0.1246","0.1628","","","","","","0.973","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157670","13.786","0.005","13.94","0.005","12.043","0.005","90","","95.844","0.005","90","","2302.4","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 -","- C27 H28 N4 -","- C108 H112 N16 -","4","1","","Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.","L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.","Organic & biomolecular chemistry","2020","18","33","6514","6518","10.1039/d0ob01363c","","","0.71073","MoKα","","0.1539","0.0611","","","0.14","0.1788","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157671","10.0331","0.0001","11.8988","0.0001","13.4124","0.0002","108","0.001","99.413","0.001","106.679","0.001","1401.73","0.03","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N5 O12 -","- C26 H25 N5 O12 -","- C52 H50 N10 O24 -","2","1","","Luo, Yan-Long; Liu, Yu-Feng; Guan, Bing-Tao","Alkyl lithium-catalyzed benzylic C-H bond addition of alkyl pyridines to α-alkenes.","Organic & biomolecular chemistry","2020","18","34","6622","6626","10.1039/d0ob01499k","","x-ray","1.54184","CuKα","","0.0605","0.0572","","","0.178","0.1816","","","","","","1.093","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157672","9.5464","0.0003","11.3522","0.0003","16.3209","0.0005","79.8713","0.0009","82.8439","0.001","76.7777","0.001","1688.44","0.09","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Br Cl3 N2 O3 S -","- C35 H32 Br Cl3 N2 O3 S -","- C70 H64 Br2 Cl6 N4 O6 S2 -","2","1","","Rapelli, Chandrashekhar; Sridhar, Balasubramanian; Subba Reddy, B. V.","Tandem Prins cyclization for the synthesis of indole fused spiro-1,4-diazocane scaffolds.","Organic & biomolecular chemistry","2020","18","34","6710","6715","10.1039/d0ob01384f","","","0.71073","MoKα","","0.1317","0.0939","","","0.2284","0.2488","","","","","","1.086","","","","has coordinates","256179","2020-10-21","18:00:00",""
"7157673","11.05","0.0004","14.7669","0.0006","11.3282","0.0004","90","","109.477","0.002","90","","1742.69","0.12","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","","Song, Xiaoxiao; Xu, Lei; Ni, Qijian","Highly diastereoselective synthesis of 3-methylenetetrahydropyrans by palladium-catalyzed oxa-[4 + 2] cycloaddition of 2-alkenylbenzothiazoles.","Organic & biomolecular chemistry","2020","18","34","6617","6621","10.1039/d0ob01434f","","","0.71073","MoKα","","0.0526","0.0428","","","0.105","0.1165","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157674","10.805","0.002","28.766","0.004","9.1158","0.0016","90","","98.138","0.006","90","","2804.8","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Br N O4 -","- C31 H34 Br N O4 -","- C124 H136 Br4 N4 O16 -","4","1","","Wang, Ziyang; Huang, Anqi; Fang, Fang; Li, Pengfei; Liu, Guokai; Li, Wenjun","Non-hydrogen bond catalyst-mediated diastereoselective conjugate additions of 5H-oxazol-4-ones to o-hydroxyphenyl-substituted p-quinone methides.","Organic & biomolecular chemistry","2020","18","35","6807","6811","10.1039/d0ob01558j","","x-ray","0.71073","MoKα","","0.0399","0.0333","","","0.0734","0.0758","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157675","7.2273","0.0003","12.6042","0.0005","29.1348","0.0012","90","","90","","90","","2654.02","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O4 -","- C34 H25 N O4 -","- C136 H100 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.0514","0.0372","","","0.0837","0.0931","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157676","11.571","0.003","17.156","0.005","13.431","0.004","90","","91.359","0.009","90","","2665.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br N O4 -","- C34 H24 Br N O4 -","- C136 H96 Br4 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.181","0.1027","","","0.2623","0.3215","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157677","9.7202","0.0014","11.6843","0.0016","24.726","0.004","90","","93.705","0.003","90","","2802.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Br N8 O5 S -","- C27 H27 Br N8 O5 S -","- C108 H108 Br4 N32 O20 S4 -","4","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0679","0.0482","","","0.1235","0.1344","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157678","13.4741","0.0004","13.4934","0.0004","15.7758","0.0005","84.2195","0.0007","85.3686","0.0007","76.9008","0.0007","2774.41","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H31 F N7 O4 S -","- C27.5 H31 F N7 O4 S -","- C110 H124 F4 N28 O16 S4 -","4","2","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0581","0.0423","","","0.1031","0.1124","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157679","9.7574","0.0004","16.3229","0.0007","33.1283","0.0014","90","","90","","90","","5276.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N7 O3 S -","- C25 H25 N7 O3 S -","- C200 H200 N56 O24 S8 -","8","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0723","0.0693","","","0.1978","0.2006","","","","","","1.054","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157680","17.9516","0.0012","16.7643","0.0011","19.6754","0.0013","90","","112.959","0.001","90","","5452.2","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 F N7 O5 S -","- C26 H28 F N7 O4 S -","- C208 H224 F8 N56 O32 S8 -","8","2","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0709","0.0504","","","0.1227","0.1372","","","","","","1.026","","","","has coordinates,has disorder","258973","2020-11-06","13:13:32",""
"7157681","9.6969","0.0006","11.4348","0.0006","24.2698","0.0015","85.022","0.002","85.218","0.002","82.945","0.002","2653.4","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C126 H126 N6 O18 -","6","3","","Schendera, Eva; Villinger, Alexander; Brasholz, Malte","Photoinduced iodine-mediated tandem dehydrogenative Povarov cyclisation/C-H oxygenation reactions.","Organic & biomolecular chemistry","2020","18","35","6912","6915","10.1039/d0ob01494j","","","0.71073","MoKα","","0.0938","0.0533","","","0.1193","0.142","","","","","","1.022","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157682","4.7625","0.0002","13.0451","0.0008","13.8262","0.001","90","","95.126","0.005","90","","855.55","0.09","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Nathanael, Joses G.; White, Jonathan M.; Richter, Annika; Nuske, Madison R.; Wille, Uta","Oxidative damage of proline residues by nitrate radicals (NO<sub>3</sub>˙): a kinetic and product study.","Organic & biomolecular chemistry","2020","18","35","6949","6957","10.1039/d0ob01337d","","x-ray","1.54184","CuKα","","0.0555","0.0447","","","0.1079","0.1183","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157683","8.6636","0.0009","8.9777","0.0011","13.8142","0.0016","83.784","0.004","78.625","0.003","68.828","0.003","981.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl F3 N -","- C23 H17 Cl F3 N -","- C46 H34 Cl2 F6 N2 -","2","1","","Li, Peng-Hua; Wei, Yin; Shi, Min","Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).","Organic & biomolecular chemistry","2020","18","36","7127","7138","10.1039/d0ob01692f","","","0.71073","MoKα","","0.0645","0.0484","","","0.1324","0.1473","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157684","8.754","0.0003","13.9202","0.0005","20.4884","0.0007","70.805","0.001","84.483","0.001","81.586","0.001","2329.4","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 F3 N -","- C27 H26 F3 N -","- C108 H104 F12 N4 -","4","2","","Li, Peng-Hua; Wei, Yin; Shi, Min","Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).","Organic & biomolecular chemistry","2020","18","36","7127","7138","10.1039/d0ob01692f","","","0.71073","MoKα","","0.1853","0.1232","","","0.3304","0.3905","","","","","","1.284","","","","has coordinates,has disorder","258970","2020-11-06","13:12:44",""
"7157685","18.4957","0.0013","7.8032","0.0005","25.76","0.002","90","","92.571","0.007","90","","3714.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-benzyl-3-(p-tolyl)-[1,2,3]triazolo[1,5-a]quinoline","","- C24 H19 N3 -","- C24 H19 N3 -","- C192 H152 N24 -","8","2","","Yang, Jianhua; Xiong, Shaoqi; Ren, Yongsheng; Xiao, Tiebo; Jiang, Yubo","Copper-catalyzed cross-coupling and sequential allene-mediated cyclization for the synthesis of 1,2,3-triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2020","18","36","7174","7182","10.1039/d0ob00435a","","x-ray","0.71073","MoKα","","0.1387","0.0668","","","0.1368","0.1772","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157686","18.7943","0.0014","11.2236","0.0008","9.8308","0.0008","90","","95.655","0.002","90","","2063.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F3 N O2 -","- C22 H24 F3 N O2 -","- C88 H96 F12 N4 O8 -","4","1","","Ma, Rui-Jun; Sun, Jian-Ting; Liu, Chang-Hong; Chen, Ling; Si, Chang-Mei; Wei, Bang-Guo","Synthesis of 1-benzylisoindoline and 1-benzyl-tetrahydroisoquinoline through nucleophilic addition of organozinc reagents to <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2020","18","36","7139","7150","10.1039/d0ob01477j","","","0.71073","MoKα","","0.067","0.0469","","","0.1159","0.1317","","","","","","1.031","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157687","14.3884","0.0013","26.944","0.003","6.9828","0.0006","90","","90","","90","","2707.1","0.5","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.1318","0.062","","","0.1681","0.2411","","","","","","0.767","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157688","7.313","0.001","9.4042","0.0012","9.8866","0.0013","97.32","0.007","95.213","0.007","94.533","0.007","668.77","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.0639","0.0451","","","0.1199","0.1413","","","","","","0.78","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157689","14.6384","0.0003","6.909","0.0001","30.7229","0.0007","90","","90","","90","","3107.21","0.11","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","1.54178","CuKα","","0.0433","0.0375","","","0.0963","0.0997","","","","","","1.119","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157690","10.3439","0.0004","6.8286","0.0002","20.1913","0.0007","90","","97.86","0.001","90","","1412.8","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F N2 -","- C20 H12 F N2 -","- C80 H48 F4 N8 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0481","0.0413","","","0.109","0.114","","","","","","1.056","","","","has coordinates,has disorder","258972","2020-11-06","13:13:10",""
"7157691","6.0455","0.0005","11.0023","0.001","11.7294","0.001","112.103","0.004","96.044","0.004","93.256","0.004","714.87","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 F N2 -","- C20 H13 F N2 -","- C40 H26 F2 N4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0783","0.0472","","","0.1189","0.1408","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157692","7.8602","0.0002","8.983","0.0002","11.3189","0.0003","94.775","0.001","108.443","0.001","100.754","0.001","736.11","0.03","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F2 N2 -","- C20 H12 F2 N2 -","- C40 H24 F4 N4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0391","0.0346","","","0.0839","0.0874","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157693","5.9542","0.0002","10.6468","0.0004","13.6281","0.0005","83.162","0.002","86.529","0.002","76.857","0.001","834.81","0.05","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0552","0.0494","","","0.1179","0.1237","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157694","14.2321","0.0007","13.7476","0.0006","19.4973","0.0009","90","","90","","90","","3814.8","0.3","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0608","0.0389","","","0.0879","0.1031","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157695","13.9563","0.0002","10.5922","0.0002","15.5819","0.0002","90","","90","","90","","2303.44","0.06","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium iodide","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","0.71073","MoKα","","0.0537","0.0308","","","0.0707","0.0848","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157696","14.4577","0.0001","10.5526","0.0001","15.7197","0.0001","90","","90","","90","","2398.3","0.03","173.01","0.1","173.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium tetrafluoroborate","","- C10 H12 B F4 N3 -","- C10 H12 B F4 N3 -","- C80 H96 B8 F32 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0477","0.0434","","","0.1276","0.1343","","","","","","1.083","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157697","20.4846","0.0008","9.4451","0.0003","15.8942","0.0007","90","","99.242","0.004","90","","3035.3","0.2","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-dimethyl-4-phenyl-1,2,3-triazolium triiodide","","- C10 H12 I3 N3 -","- C10 H12 I3 N3 -","- C80 H96 I24 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0713","0.0652","","","0.191","0.1977","","","","","","1.102","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157698","12.1573","0.0013","12.3663","0.0013","15.5243","0.0014","90","","107.422","0.003","90","","2226.9","0.4","192","2","192","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl -","- C31 H23 Cl -","- C124 H92 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0414","0.035","","","0.0828","0.0874","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157699","20.7442","0.0006","12.396","0.0003","7.5295","0.0002","90","","90","","90","","1936.17","0.09","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H21 Cl -","- C26 H21 Cl -","- C104 H84 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0384","0.0318","","","0.0795","0.0852","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157700","8.692","0.001","10.4626","0.0012","12.9164","0.0015","106.067","0.002","98.907","0.002","110.261","0.002","1017.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H19 Cl F3 N O2 S -","- C19 H19 Cl F3 N O2 S -","- C38 H38 Cl2 F6 N2 O4 S2 -","2","1","","Wang, Xiaonan; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Enantioselective addition of thiols to trifluoromethyl ketimines: synthesis of <i>N</i>,<i>S</i>-ketals.","Organic & biomolecular chemistry","2020","18","37","7431","7436","10.1039/d0ob01725f","","","0.71073","MoKα","","0.0744","0.0556","","","0.1462","0.1635","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157701","34.292","0.005","8.1908","0.0013","16.147","0.003","90","","111.061","0.005","90","","4232.4","1.2","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","(3R,3'S,4'R,4a'S,9a'R)-1-(tert-Butyl) 3'-ethyl 3''-benzyl-2,4'',9'-trioxo-2''-thioxo-4a',9a'- dihydro-1'H,3'H,9'H-dispiro[indoline-3,2'-xanthene-4',5''-thiazolidine]-1,3'-dicarboxylate","","- C37 H34 N2 O8 S2 -","- C37 H34 N2 O8 S2 -","- C148 H136 N8 O32 S8 -","4","1","","Song, Yong-Xing; Lin, Ye; Yan, Li; Du, Da-Ming","An organocatalytic domino Michael addition strategy: construction of bispiro[oxindole-thiazolidinone-hexahydroxanthone]s with five contiguous stereocenters.","Organic & biomolecular chemistry","2020","18","37","7373","7378","10.1039/d0ob01613f","","","0.71073","MoKα","","0.0404","0.0331","","","0.0846","0.0881","","","","","","1.058","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157702","14.4086","0.0001","13.7833","0.0001","14.4694","0.0001","90","","110.157","0.001","90","","2697.59","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","PF1022A","","- C53 H80 N4 O13 -","- C53 H80 N4 O13 -","- C106 H160 N8 O26 -","2","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0287","0.028","","","0.0695","0.0699","","","","","","1.073","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157703","14.9008","0.0001","15.8307","0.0001","16.8469","0.0001","111.244","0.001","101.429","0.001","100.095","0.001","3495.22","0.06","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","bis(PF1022A)-tris(Potassium thiocianate)","","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","1","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1423","0.1453","","","","","","1.035","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157704","8.3648","0.0003","24.4988","0.0011","8.6463","0.0004","90","","106.405","0.002","90","","1699.73","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Qiao, Shanshan; Qian, Peng-Cheng; Chen, Fan; Cheng, Jiang","Iron-catalyzed radical cascade 6-<i>endo</i> cyclization of dienes towards fused nitrogen heterocycles initiated by an alkoxycarbonyl radical.","Organic & biomolecular chemistry","2020","18","36","7086","7089","10.1039/d0ob01438a","","","0.71073","MoKα","","0.0564","0.0431","","","0.1099","0.1218","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157705","7.6399","0.0013","11.119","0.002","15.958","0.003","70.281","0.006","78.966","0.005","74.305","0.005","1221","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O8 S -","- C27 H20 N2 O8 S -","- C54 H40 N4 O16 S2 -","2","1","","Sathi, Vidya; Thomas, Noble V.; Deepthi, Ani","Stereoselective synthesis of dispiro heterocycles by [3 + 2] cycloaddition of azomethine ylides with a thiazolo[3,2-<i>a</i>]indole derivative.","Organic & biomolecular chemistry","2020","18","39","7822","7826","10.1039/d0ob01559h","","","0.71073","MoKα","","0.0653","0.0416","","","0.0945","0.1107","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157706","13.215","0.003","11.927","0.002","15.344","0.003","90","","101.15","0.03","90","","2372.8","0.9","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F N2 O2 S Se -","- C28 H21 F N2 O2 S Se -","- C112 H84 F4 N8 O8 S4 Se4 -","4","1","","Yao, Hai-Feng; Wang, Dian-Liang; Li, Fang-Hui; Wu, Bing; Cai, Zhong-Jian; Ji, Shun-Jun","Synthesis of organoselenyl isoquinolinium imides <i>via</i> iron(III) chloride-mediated tandem cyclization/selenation of <i>N</i>'-(2-alkynylbenzylidene)hydrazides and diselenides.","Organic & biomolecular chemistry","2020","18","38","7577","7584","10.1039/d0ob01517b","","","0.71073","MoKα","","0.0416","0.0382","","","0.0932","0.0955","","","","","","1.015","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157707","22.757","0.01","4.748","0.002","23.677","0.01","90","","104.854","0.016","90","","2472.8","1.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Cl N2 O -","- C16 H9 Cl N2 O -","- C128 H72 Cl8 N16 O8 -","8","2","","Chen, Junrong; Li, Zhenmin; Suleman, Muhammad; Wang, Zaibin; Lu, Ping; Wang, Yanguang","TfOH-promoted synthesis of 4,5-dihydrooxazolo[5,4-<i>c</i>]isoquinolines <i>via</i> formal [3 + 2] cycloaddition of 4-diazoisoquinolin-3-one and benzonitriles.","Organic & biomolecular chemistry","2020","18","38","7671","7676","10.1039/d0ob01748e","","","0.71073","MoKα","","0.0573","0.0439","","","0.1024","0.1108","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157708","7.7469","0.0008","17.4348","0.0019","14.3624","0.0016","90","","92.609","0.002","90","","1937.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","","Zhang, Xuxue; Liu, Chuan; Deng, Yupian; Cao, Song","Chemo- and regioselective synthesis of polysubstituted 2-aminothiophenes by the cyclization of <i>gem</i>-dibromo or <i>gem</i>-dichloroalkenes with β-keto tertiary thioamides.","Organic & biomolecular chemistry","2020","18","38","7540","7544","10.1039/d0ob01821j","","","0.71073","MoKα","","0.0731","0.054","","","0.1297","0.1401","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157709","5.6871","0.0003","8.6686","0.0004","18.3693","0.0007","81.037","0.004","88.297","0.004","87.959","0.004","893.7","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 F3 N O3 S -","- C18 H18 F3 N O3 S -","- C36 H36 F6 N2 O6 S2 -","2","1","","Bonciolini, Stefano; Di Filippo, Mara; Baumann, Marcus","A scalable continuous photochemical process for the generation of aminopropylsulfones.","Organic & biomolecular chemistry","2020","18","46","9428","9432","10.1039/d0ob01801e","","","1.54184","CuKα","","0.0551","0.0489","","","0.125","0.1314","","","","","","1.044","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157710","9.4888","0.0005","7.2783","0.0003","12.988","0.0007","90","","97.094","0.005","90","","890.12","0.08","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 1 21 1","P 2yb","4","","Aleuritin","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.0646","0.0504","","","0.1141","0.1229","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157711","7.0307","0.001","8.666","0.001","25.171","0.005","90","","90","","90","","1533.6","0.4","150","2","150","2","","","","","","","Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","rel-(5β,8α,10α)-8-hydroxy-13-methylpodocarpa-9(11),13-diene-3,12-dione","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.1349","0.0728","","","0.1698","0.2208","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157712","7.526","0.0004","13.1519","0.0007","17.4059","0.0016","90","","90","","90","","1722.9","0.2","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","aleuritone","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.076","0.0584","","","0.1406","0.1535","","","","","","0.958","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157713","7.6762","0.0001","12.3159","0.0002","17.1409","0.0003","90","","90","","90","","1620.49","0.04","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","isoindoloquinazolinone","ethyl 12-hydroxy-4-methyl-10-oxo-10,12-dihydroisoindolo[1,2-b]quinazoline-12-carboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Choi, Jin Ho; Kim, Kunyoung; Oh, Harin; Han, Sangil; Mishra, Neeraj Kumar; Kim, In Su","Ru(ii)-Catalyzed C-H addition and oxidative cyclization of 2-aryl quinazolinones with activated aldehydes.","Organic & biomolecular chemistry","2020","18","47","9611","9622","10.1039/d0ob01663b","","","0.71073","MoKα","","0.0694","0.0549","","","0.1498","0.1613","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157714","12.3228","0.0014","13.5824","0.0012","19.942","0.002","90","","104.136","0.003","90","","3236.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 N2 O3 S -","- C37 H38 N2 O3 S -","- C148 H152 N8 O12 S4 -","4","1","","Kumaran, Subramani; Prabhakaran, Mohan; Mariyammal, Narayanan; Parthasarathy, Kanniyappan","Catalyst-free 1,6-conjugate addition of indoles and 4-hydroxycoumarins to <i>para</i>-quinone methides: synthesis of unsymmetrical triarylmethanes.","Organic & biomolecular chemistry","2020","18","39","7837","7841","10.1039/d0ob01789b","","","0.71073","MoKα","","0.1282","0.0516","","","0.0994","0.1294","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157715","18.4913","0.0006","4.7672","0.0001","19.316","0.0007","90","","94.258","0.002","90","","1698.04","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br2 N5 O2 -","- C16 H15 Br2 N5 O2 -","- C64 H60 Br8 N20 O8 -","4","1","","Galve, Iñaki; Ondoño, Raül; de Rocafiguera, Claudi; Puig de la Bellacasa, Raimon; Batllori, Xavier; Puigjaner, Cristina; Font-Bardia, Mercè; Vallcorba, Oriol; Teixidó, Jordi; Borrell, José I","A captured room temperature stable Wheland intermediate as a key structure for the orthogonal decoration of 4-amino-pyrido[2,3-<i>d</i>]pyrimidin-7(8<i>H</i>)-ones.","Organic & biomolecular chemistry","2020","18","48","9810","9815","10.1039/d0ob01785j","","","0.71073","MoKα","","0.0679","0.0561","","","0.155","0.1626","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157716","11.2245","0.0005","13.0227","0.0005","13.7251","0.0005","92.741","0.003","106.371","0.003","107.992","0.003","1810.67","0.14","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 B2 F9 N3 O2 -","- C32 H26 B2 F9 N3 O2 -","- C64 H52 B4 F18 N6 O4 -","2","1","","Moneva Lorente, Pau; Wallabregue, Antoine; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Lacour, Jérôme","Synthesis and properties of chiral fluorescent helicene-BODIPY conjugates.","Organic & biomolecular chemistry","2020","18","38","7677","7684","10.1039/d0ob01809k","","x-ray","1.54184","CuKα","","0.0602","0.0516","","","0.1506","0.1593","","","","","","1.045","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157717","3.9404","0.0001","16.0925","0.0003","9.1575","0.0002","90","","90.254","0.001","90","","580.68","0.02","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","","","0.0298","0.0292","","","0.081","0.0817","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157718","18.7602","0.0014","9.1601","0.0006","16.7999","0.0012","90","","90","","90","","2887","0.4","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","CuKα","","0.0507","0.0454","","","0.1219","0.1266","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157719","15.014","0.002","10.0228","0.0011","21.573","0.005","90","","90","","90","","3246.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","x-ray","0.71073","MoKα","","0.2084","0.0871","","","0.2286","0.3103","","","","","","1.018","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157720","11.2384","0.0006","10.343","0.0005","13.5036","0.0008","90","","107.74","0.006","90","","1495","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","","0.71073","MoKα","","0.0851","0.0593","","","0.1497","0.1658","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157721","10.114","0.0005","10.3178","0.0005","10.5034","0.0005","90","","102.09","0.002","90","","1071.76","0.09","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Gangadurai, Chinnakuzhanthai; Illa, Giri Teja; Reddy, D. Srinivasa","FeCl<sub>3</sub>-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities.","Organic & biomolecular chemistry","2020","18","41","8459","8466","10.1039/d0ob01790f","","","0.71073","MoKα","","0.0327","0.0309","","","0.0753","0.0765","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157722","5.8087","0.0003","11.2608","0.0007","47.001","0.002","93.058","0.005","90.358","0.004","92.48","0.005","3067","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 I N O2 -","- C37 H33.755 I N O2 -","- C148 H135.02 I4 N4 O8 -","4","2","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","1.54184","CuKα","","0.1386","0.0949","","","0.2192","0.2505","","","","","","1.086","","","","has coordinates,has disorder","258964","2020-11-06","13:11:00",""
"7157723","8.2053","0.0005","9.9516","0.0006","14.8729","0.0013","79.118","0.006","88.843","0.006","68.605","0.006","1108.86","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H40 N2 O -","- C23 H40 N2 O -","- C46 H80 N4 O2 -","2","1","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","0.71073","MoKα","","0.0654","0.0497","","","0.107","0.1161","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157724","5.8348","0.0003","14.7954","0.0009","21.5626","0.0013","90","","92.427","0.005","90","","1859.79","0.19","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 F2 N -","- C27 H15 F2 N -","- C108 H60 F8 N4 -","4","1","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.0847","0.0907","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157725","8.6569","0.0013","11.7473","0.0017","16.347","0.002","98.164","0.011","91.884","0.011","90.183","0.012","1644.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 F N O3 -","- C17 H22 F N O3 -","- C68 H88 F4 N4 O12 -","4","2","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.1611","0.103","","","0.2644","0.3163","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157726","9.0751","0.0005","6.1933","0.0003","15.1581","0.0007","90","","98.79","0.004","90","","841.95","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C34 H46 F4 N2 O6 -","2","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0435","0.0392","","","0.0916","0.095","","","","","","1.099","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157727","6.0625","0.0004","22.0365","0.0015","12.8581","0.001","90","","90.522","0.007","90","","1717.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C68 H92 F8 N4 O12 -","4","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0681","0.0499","","","0.1214","0.1321","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157728","9.5144","0.0005","13.3582","0.0007","16.0144","0.001","90","","102.194","0.002","90","","1989.43","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Tang, Shi-Biao; Fu, Xiao-Pan; Wu, Gao-Rong; Zhang, Li-Li; Deng, Ke-Zuan; Yang, Jin-Yue; Xia, Cheng-Cai; Ji, Ya-Fei","Rhodium(III)-catalyzed C4-amidation of indole-oximes with dioxazolones <i>via</i> C-H activation.","Organic & biomolecular chemistry","2020","18","39","7922","7931","10.1039/d0ob01655a","","","0.71073","MoKα","","0.0751","0.0487","","","0.1096","0.1292","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157730","8.1628","0.0006","13.0501","0.0008","13.9274","0.001","90","","103.346","0.008","90","","1443.55","0.18","111.95","0.1","111.95","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0933","0.0948","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157731","7.2801","0.0002","9.9611","0.0003","18.9298","0.0005","90","","90","","90","","1372.75","0.07","111.65","0.1","111.65","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.036","0.035","","","0.0892","0.09","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157732","16.8403","0.0003","10.54278","0.00019","7.78736","0.00014","90","","90","","90","","1382.6","0.04","110.2","0.14","110.2","0.14","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0349","0.0337","","","0.0882","0.0895","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157733","7.1617","0.0001","9.7401","0.0002","18.6984","0.0003","90","","90","","90","","1304.32","0.04","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0362","0.0334","","","0.0853","0.0868","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157734","9.6261","0.00009","6.61723","0.00011","14.2237","0.0002","90","","98.0027","0.0011","90","","897.2","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-tert-butyl 4-((R)-2-(4-chlorophenyl)-5-oxo-2,5-dihydrofuran-2-yl)-2-oxopyrrolidine-1-carboxylate","","- C19 H20 Cl N O5 -","- C19 H20 Cl N O5 -","- C38 H40 Cl2 N2 O10 -","2","1","","Romaniszyn, Marta; Sieroń, Lesław; Albrecht, Łukasz","Asymmetric vinylogous Michael addition of 5-substituted-furan-2(3<i>H</i>)-ones to an α,β-unsaturated-γ-lactam.","Organic & biomolecular chemistry","2020","18","42","8633","8637","10.1039/d0ob01750g","","x-ray","1.54184","CuKα","","0.0225","0.0225","","","0.0589","0.0589","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157735","17.1752","0.0002","8.82114","0.00017","24.8611","0.0005","90","","90","","90","","3766.58","0.11","150","0.2","150","0.2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C40 H52 O11 -","- C40 H52 O11 -","- C160 H208 O44 -","4","0.5","","Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C.","Functionalized fluorescent terephthalate monomers and their attempted polyester formation.","Organic & biomolecular chemistry","2020","18","42","8735","8745","10.1039/d0ob01533d","","","1.54184","CuKα","","0.0486","0.0357","","","0.0846","0.0925","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157736","12.9152","0.0018","15.907","0.002","18.038","0.003","90","","90","","90","","3705.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C200 H152 N8 O24 -","8","1","","Liu, Siyuan; Wang, Hang; Wang, Baomin","Catalyst-free construction of spiro [benzoquinolizidine-chromanones] <i>via</i> a tandem condensation/1,5-hydride transfer/cyclization process.","Organic & biomolecular chemistry","2020","18","43","8839","8843","10.1039/d0ob01887b","","","0.71073","MoKα","","0.0746","0.0444","","","0.1062","0.1244","","","","","","0.996","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157737","8.3127","0.0002","17.1849","0.0003","20.9916","0.0004","90","","90","","90","","2998.71","0.11","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Jaspal, Sonam; Shinde, Vikki N.; Meena, Neha; Nipate, Dhananjay S.; Rangan, Krishnan; Kumar, Anil","Metal-free benzoylation of imidazoheterocycles by oxidative decarboxylation of arylglyoxylic acids.","Organic & biomolecular chemistry","2020","18","44","9072","9080","10.1039/d0ob01842b","","x-ray","1.54184","CuKα","","0.0464","0.0442","","","0.1217","0.1239","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157738","11.158","0.002","11.434","0.002","15.708","0.003","90","","96.925","0.004","90","","1989.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N5 O2 -","- C23 H17 N5 O2 -","- C92 H68 N20 O8 -","4","1","","Ge, Junying; Ding, Qiuping; Yang, Man; He, Tian; Peng, Yiyuan","Copper and manganese co-mediated cascade aza-Michael addition/cyclization and azidation of 1,3-enynes: regioselective synthesis of fully substituted azido pyrroles.","Organic & biomolecular chemistry","2020","18","43","8908","8915","10.1039/d0ob01927e","","","0.71073","MoKα","","0.1534","0.1017","","","0.2944","0.3298","","","","","","1.16","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157739","29.8793","0.0017","7.7831","0.0004","12.7135","0.0007","90","","93.634","0.005","90","","2950.6","0.3","90","2","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C144 H112 Cl8 N8 O24 -","8","1","","Yugandar, Somaraju; Morita, Taiki; Nakamura, Hiroyuki","Rhodium(III)-catalysed decarboxylative C-H functionalization of isoxazoles with alkenes and sulfoxonium ylides.","Organic & biomolecular chemistry","2020","18","42","8625","8628","10.1039/d0ob02027c","","","1.54184","CuKα","","0.0462","0.0435","","","0.1231","0.1253","","","","","","1.106","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157740","5.6056","0.0006","17.422","0.002","22.161","0.002","90","","90","","90","","2164.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N3 -","- C26 H24 F N3 -","- C104 H96 F4 N12 -","4","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.1026","0.0684","","","0.1064","0.1217","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157741","9.2995","0.0005","9.7287","0.0005","37.4385","0.0019","90","","90","","90","","3387.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 F N3 -","- C21 H16 F N3 -","- C168 H128 F8 N24 -","8","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0771","0.044","","","0.0892","0.1079","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157742","5.4142","0.0007","20.89","0.003","8.3858","0.0011","90","","92.126","0.004","90","","947.8","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F N3 O -","- C24 H20 F N3 O -","- C48 H40 F2 N6 O2 -","2","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0936","0.0692","","","0.1444","0.157","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157743","10.7714","0.0001","11.3185","0.0001","13.3343","0.0001","66.429","0.001","80.647","0.001","75.079","0.001","1436.53","0.02","100","0.13","100","0.13","","","","","","","","4","P 1","P 1","1","","","","- C37 H29 N O4 -","- C37 H29 N O4 -","- C74 H58 N2 O8 -","2","2","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0266","0.0261","","","0.0655","0.0658","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157744","12.9632","0.0001","12.9632","0.0001","16.2424","0.0002","90","","90","","120","","2363.77","0.04","294","","294","","","","","","","","","4","P 31","P 31","144","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C108 H78 N6 O6 -","3","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0347","0.0329","","","0.0963","0.0987","","","","","","1.1","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157745","9.3208","0.0003","15.9714","0.0005","19.0521","0.0006","90","","90","","90","","2836.21","0.16","133.15","","133.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","0.71073","MoKα","","0.0537","0.0426","","","0.093","0.0993","","","","","","1.042","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157746","3.8839","0.0006","8.7474","0.0009","22.667","0.0014","81.742","0.008","88.786","0.009","85.859","0.01","760.07","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Br N2 O -","- C7 H7 Br N2 O -","- C28 H28 Br4 N8 O4 -","4","2","","Li, Yibiao; Huang, Shuo; Li, Jiaming; Li, Jian; Ji, Xiaoliang; Liu, Jiasheng; Chen, Lu; Peng, Shiyong; Zhang, Kun","Access to 2-pyridinylamide and imidazopyridine from 2-fluoropyridine and amidine hydrochloride","Organic & Biomolecular Chemistry","2020","18","45","9292","9299","10.1039/D0OB01904F","","x-ray","1.54184","CuKα","","0.0688","0.0627","","","0.1877","0.1915","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157747","17.8252","0.0006","7.4804","0.0002","10.9523","0.0004","90","","105.159","0.004","90","","1409.56","0.08","123.15","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","KUTYY-26bicycloPr","","- C12 H19 N5 O4 -","- C12 H19 N5 O4 -","- C48 H76 N20 O16 -","4","1","","Nakaike, Yumi; Yoshida, Yusuke; Yokoyama, Soichi; Ito, Akitaka; Nishiwaki, Nagatoshi","Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes","Organic & Biomolecular Chemistry","2020","18","44","9109","9116","10.1039/D0OB01950J","","x-ray","0.71073","MoKα","","0.0408","0.0343","","","0.0841","0.0871","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157748","14.4032","0.0016","9.8582","0.0002","19.916","0.002","90","","140.02","0.02","90","","1817","0.8","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KUTYY-29bicycloBn","","- C20 H19 N5 O4 -","- C20 H19 N5 O4 -","- C80 H76 N20 O16 -","4","1","","Nakaike, Yumi; Yoshida, Yusuke; Yokoyama, Soichi; Ito, Akitaka; Nishiwaki, Nagatoshi","Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes","Organic & Biomolecular Chemistry","2020","18","44","9109","9116","10.1039/D0OB01950J","","x-ray","0.71073","MoKα","","0.0399","0.0351","","","0.086","0.0892","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157749","13.738","0.013","15.885","0.013","7.706","0.006","90","","111.13","0.04","90","","1569","2","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Ahn, Hye-In; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun","Pd-Catalyzed asymmetric [5 + 2] cycloaddition of vinylethylene carbonates and cyclic imines: access to N-fused 1,3-oxazepines.","Organic & biomolecular chemistry","2020","18","48","9826","9830","10.1039/d0ob02159h","","","0.71073","MoKα","","0.0361","0.0317","","","0.0732","0.0761","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157750","4.4944","0.0006","5.4263","0.0007","12.2978","0.0016","97.735","0.011","94.192","0.011","92.2","0.011","296.04","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","1","1","","Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi","Novel aryltriazole acyclic C-azanucleosides as anticancer candidates.","Organic & biomolecular chemistry","2020","18","47","9689","9699","10.1039/d0ob02164d","","","0.71073","MoKα","","0.0636","0.0426","","","0.0975","0.1135","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157751","9.9981","0.0003","15.1043","0.0003","18.6398","0.0004","90","","92.173","0.002","90","","2812.85","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl3 N2 O4 S -","- C28 H25 Cl3 N2 O4 S -","- C112 H100 Cl12 N8 O16 S4 -","4","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.082","0.0581","","","0.1445","0.1642","","","","","","1.01","","","","has coordinates,has disorder","260812","2021-01-07","07:06:06",""
"7157752","26.0749","0.0009","9.8982","0.0003","23.541","0.0008","90","","105.383","0.004","90","","5858.1","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Cl3 N2 O4 S -","- C29 H27 Cl3 N2 O4 S -","- C232 H216 Cl24 N16 O32 S8 -","8","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.0986","0.0667","","","0.17","0.1971","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157753","22.788","0.004","9.824","0.001","19.984","0.004","90","","123.49","0.03","90","","3731.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C168 H152 Cl8 N16 O24 -","8","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.0784","0.056","","","0.1419","0.1691","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157759","11.042","0.0005","8.8933","0.0005","16.9598","0.0012","90","","95.377","0.005","90","","1658.12","0.17","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl N O6 -","- C16 H18 Cl N O6 -","- C64 H72 Cl4 N4 O24 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","Intramolecular [3 + 2] nitrone cycloaddition reaction: highly regio and diastereoselective synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2020","18","47","9653","9659","10.1039/d0ob01960g","","","0.71073","MoKα","","0.0899","0.0582","","","0.1493","0.1771","","","","","","1.0578","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157760","8.8725","0.0004","11.6847","0.0005","16.8773","0.0008","90","","102.266","0.002","90","","1709.77","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Shen, Bing-Xue; Min, Xiang-Ting; Hu, Yan-Cheng; Qian, Lei-Lei; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An","Copper-catalyzed boroacylation of allenes to access tetrasubstituted vinylboronates","Organic & Biomolecular Chemistry","2020","18","45","9253","9260","10.1039/D0OB02008G","","","0.71073","MoKα","","0.0679","0.0607","","","0.1587","0.1658","","","","","","1.266","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157761","11.8524","0.0008","12.1284","0.0008","14.3084","0.001","90","","107.05","0.007","90","","1966.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Huang, Jian; Fu, Yang; Deng, Zhihong; Chen, Wei; Song, Zhibin; Peng, Yiyuan","Rhodium-catalyzed oxidative annulation of 1H-indazoles with alkynes for the synthesis of indazolo[3,2-a]isoquinolines via C-H bond functionalization.","Organic & biomolecular chemistry","2020","18","48","9863","9872","10.1039/d0ob02060e","","","0.71073","MoKα","","0.0677","0.0488","","","0.1076","0.1168","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157762","11.6835","0.0005","10.2297","0.0004","18.6723","0.0004","90","","101.857","0.002","90","","2184.07","0.14","109.4","0.2","109.4","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br O5 -","- C26 H21 Br O5 -","- C104 H84 Br4 O20 -","4","1","","Wang, Ru-Bing; Ren, Xiao-Dong; He, Jie; Zhu, Shan-Shan; Xie, Hui-Ru; Su, Guo-Zhu; Ma, Shuang-Gang; Yu, Shi-Shan","Burchellin and its stereoisomers: total synthesis, structural elucidation and antiviral activity","Organic & Biomolecular Chemistry","2020","18","44","9081","9087","10.1039/D0OB01889A","","x-ray","1.54184","CuKα","","0.045","0.0396","","","0.1037","0.1079","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157764","10.5825","0.0001","10.9351","0.0002","20.533","0.0003","90","","94.269","0.001","90","","2369.5","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N0.25 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0477","0.0429","","","0.1235","0.1325","","","","","","0.783","","","","has coordinates","260825","2021-01-07","07:08:23",""
"7157765","26.6744","0.0001","26.6744","0.0001","18.1796","0.0001","90","","90","","90","","12935.2","0.1","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C152 H108 Cl12 N8 O8 S -","- C152 H100 Cl12 N8 O8 S -","- C608 H400 Cl48 N32 O32 S4 -","4","0.25","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0779","0.077","","","0.1983","0.1989","","","","","","1.061","","","","has coordinates,has disorder","260825","2021-01-07","07:08:23",""
"7157766","14.0142","0.0004","21.038","0.0005","9.3503","0.0003","90","","90.176","0.002","90","","2756.74","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 Cl3 N2 O4 -","- C33 H21 Cl3 N2 O4 -","- C132 H84 Cl12 N8 O16 -","4","1","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0703","0.0542","","","0.1183","0.1261","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157767","8.1923","0.0011","10.0872","0.0014","13.952","0.002","75.123","0.004","88.61","0.004","78.866","0.004","1092.9","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br2 Cl N O3 -","- C22 H18 Br2 Cl N O3 -","- C44 H36 Br4 Cl2 N2 O6 -","2","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor–acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1293","0.0565","","","0.1377","0.173","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157768","15.6584","0.0017","7.2134","0.0007","19.131","0.002","90","","102.956","0.003","90","","2105.8","0.4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br Cl N O3 -","- C22 H19 Br Cl N O3 -","- C88 H76 Br4 Cl4 N4 O12 -","4","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor–acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.0864","0.0406","","","0.1014","0.1269","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157769","10.129","0.006","15.539","0.009","15.252","0.009","90","","105.482","0.017","90","","2313","2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor–acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1042","0.0683","","","0.1954","0.2262","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157770","24.318","0.003","9.2383","0.0011","20.24","0.003","90","","96.433","0.004","90","","4518.4","1","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Br Cl N O3 -","- C23 H21 Br Cl N O3 -","- C184 H168 Br8 Cl8 N8 O24 -","8","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor–acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1794","0.0593","","","0.1245","0.1624","","","","","","1","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157771","9.3441","","13.5093","","16.7025","","98.858","","102.47","","91.92","","2029.23","","93","","93","","","","","","","","","7","P -1","-P 1","2","","Zn-3c","","- C39 H53 Br N4 O4 Si3 Zn -","- C39 H53 Br N4 O4 Si3 Zn -","- C78 H106 Br2 N8 O8 Si6 Zn2 -","2","1","","Hayashi, Satoshi; Takamatsu, Rina; Takeda, Shiori; Noji, Masahiro; Takanami, Toshikatsu","Central zinc metal-controlled regioselective meso-bromination of zincatedβ-silylporphyrins-rapid access to meso,β-dual-functionalized porphyrins.","Organic & biomolecular chemistry","2020","18","48","9791","9795","10.1039/d0ob02262d","","","1.54187","CuKα","","0.2093","0.1381","","","0.2792","0.3577","","","","","","1.046","","","","has coordinates","260826","2021-01-07","07:08:29",""
"7157772","41.0905","0.0009","12.1637","0.00011","21.1598","0.0005","90","","134.872","0.004","90","","7495","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N3 O8 -","- C43 H39 N3 O8 -","- C344 H312 N24 O64 -","8","1","","Li, Chen-Yi; Xiang, Min; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","A base-catalyzed domino reaction between isoindigos and α-alkylidene succinimides-convenient preparation of highly steric bispirooxindoles.","Organic & biomolecular chemistry","2020","18","46","9511","9515","10.1039/d0ob01858a","","x-ray","1.54184","CuKα","","0.0521","0.0458","","","0.1241","0.1307","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157773","5.9286","0.0005","8.2863","0.0007","8.6201","0.0008","109.21","0.003","90.208","0.003","103.829","0.002","386.74","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C17 H19 N O3 S -","1","1","","Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua","Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)<sub>2</sub>-mediated difunctionalization of alkenes.","Organic & biomolecular chemistry","2020","18","48","9873","9882","10.1039/d0ob01987a","","","0.71073","MoKα","","0.08","0.0527","","","0.0947","0.1105","","","","","","1.086","","","","has coordinates,has disorder","260822","2021-01-07","07:07:53",""
"7157780","16.216","0.0005","8.5645","0.0002","16.5649","0.0005","90","","117.934","0.001","90","","2032.52","0.1","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C12 H7 N3 S -","- C12 H7 N3 S -","- C96 H56 N24 S8 -","8","4","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping; Zhao, Jixing; Wei, Yu","NCS-promoted thiocyanation and selenocyanation of pyrrolo[1,2-a]quinoxalines","Organic & Biomolecular Chemistry","2020","18","44","9088","9094","10.1039/D0OB01818J","","","0.71073","MoKα","","0.0683","0.0451","","","0.0869","0.0997","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157781","8.3229","0.0002","10.5201","0.0002","13.8336","0.0003","88.816","0.002","73.989","0.002","76.976","0.002","1133.19","0.05","99.9","0.9","99.9","0.9","","","","","","","","3","P -1","-P 1","2","","Trieffnol C","","- C26 H28 O8 -","- C26 H28 O8 -","- C52 H56 O16 -","2","1","","Liu, Hongxin; Chen, Shanchong; Zhang, Xiao; Dong, Chunmao; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin","Structural elucidation, total synthesis, and cytotoxic activity of effphenol A","Organic & Biomolecular Chemistry","2020","18","44","9035","9038","10.1039/D0OB01985B","","x-ray","1.54184","CuKα","","0.0467","0.0404","","","0.1338","0.1391","","","","","","1.141","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157782","10.102","0.0017","10.4727","0.0016","15.726","0.003","104.702","0.005","94.205","0.005","109.963","0.005","1489","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 Br N O6 -","- C33 H32 Br N O6 -","- C66 H64 Br2 N2 O12 -","2","1","","Jaiswal, Manish K.; Singh, Bhuvnesh; De, Shreemoyee; Singh, Neetu; Singh, Ravi P.","Stereoselective formal [3 + 3] annulation of 3-alkylidene-2-oxindoles with β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2020","18","48","9852","9862","10.1039/d0ob02046j","","","0.71073","MoKα","","0.1338","0.0632","","","0.1723","0.2137","","","","","","0.935","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157784","4.2074","0.0004","12.9179","0.0009","27.18","0.002","90","","94.001","0.007","90","","1473.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O4 -","- C19 H13 N O4 -","- C76 H52 N4 O16 -","4","1","","He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li","Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones","Organic & Biomolecular Chemistry","2020","18","44","9039","9043","10.1039/D0OB01894E","","x-ray","1.54184","CuKα","","0.0845","0.0771","","","0.2231","0.2291","","","","","","1.133","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157785","12.5309","0.0007","7.1686","0.0004","17.8685","0.001","90","","94.845","0.005","90","","1599.37","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C76 H48 Br4 N4 O16 -","4","1","","He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li","Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones","Organic & Biomolecular Chemistry","2020","18","44","9039","9043","10.1039/D0OB01894E","","x-ray","0.71073","MoKα","","0.0439","0.0328","","","0.0683","0.0725","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157786","10.4475","0.0005","12.2806","0.0005","12.3903","0.0007","100.338","0.002","99.001","0.003","104.084","0.002","1483.14","0.13","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H32 -","- C40 H32 -","- C80 H64 -","2","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.1036","0.049","","","0.1054","0.1347","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157787","14.8169","0.0009","23.135","0.0015","13.2408","0.0007","90","","94.823","0.003","90","","4522.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br4 -","- C12 H12 Br4 -","- C144 H144 Br48 -","12","3","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.213","0.0739","","","0.1762","0.2393","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157788","15.6392","0.0006","18.8539","0.0009","12.4008","0.0007","90","","127.729","0.001","90","","2892","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 O13 P4 -","- C20 H38 O13 P4 -","- C80 H152 O52 P16 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0613","0.0411","","","0.0992","0.1168","","","","","","1.07","","","","has coordinates,has disorder","301861","2025-08-22","11:13:09",""
"7157789","6.9814","0.0006","11.397","0.001","11.8876","0.0011","62.708","0.004","82.487","0.005","73.52","0.005","806.04","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.1001","0.0642","","","0.1813","0.2275","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157790","11.6744","0.0007","9.2737","0.0006","11.2747","0.0005","90","","114.21","0.002","90","","1113.3","0.11","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0607","0.0435","","","0.0998","0.1112","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157791","6.859","0.0005","17.0662","0.0011","19.6709","0.001","90","","90","","90","","2302.6","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C112 H120 N8 -","4","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0893","0.0459","","","0.0917","0.1133","","","","","","0.979","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157792","23.8429","0.0011","14.4588","0.0007","12.002","0.0005","90","","116.455","0.001","90","","3704.3","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N12 -","- C44 H36 N12 -","- C176 H144 N48 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.081","0.0494","","","0.117","0.1456","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157793","11.0913","0.0001","11.0913","0.0001","92.9928","0.0005","90","","90","","120","","9907.06","0.14","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C35 H46 O13 -","- C35 H46 O13 -","- C420 H552 O156 -","12","2","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A–C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0952","0.0948","","","0.2282","0.2284","","","","","","1.163","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157794","8.0223","0.0001","13.6842","0.0001","21.6959","0.0001","90","","90","","90","","2381.75","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A–C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0335","0.033","","","0.0938","0.0941","","","","","","1.11","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157795","11.1364","0.0014","19.9122","0.0018","8.5927","0.0011","90","","107.324","0.013","90","","1819","0.4","293.5","0.4","293.5","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","1","","Dagar, Anuradha; Kim, Ikyon","Expansion of diazepine heterocyclic chemical space <i>via</i> sequential Knoevenagel condensation-intramolecular aza-Wittig reaction: 2-acyl-4-aryl-5<i>H</i>-pyrrolo[1,2-<i>d</i>][1,4]diazepines.","Organic & biomolecular chemistry","2020","18","48","9836","9851","10.1039/d0ob02002h","","x-ray","0.71073","MoKα","","0.1698","0.0793","","","0.1673","0.2083","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157796","10.3803","0.0006","7.9121","0.0004","19.5926","0.0011","90","","104.061","0.005","90","","1560.93","0.15","293.6","0.13","293.6","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Dagar, Anuradha; Kim, Ikyon","Expansion of diazepine heterocyclic chemical space <i>via</i> sequential Knoevenagel condensation-intramolecular aza-Wittig reaction: 2-acyl-4-aryl-5<i>H</i>-pyrrolo[1,2-<i>d</i>][1,4]diazepines.","Organic & biomolecular chemistry","2020","18","48","9836","9851","10.1039/d0ob02002h","","x-ray","0.71073","MoKα","","0.0506","0.0415","","","0.11","0.1179","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157797","13.5978","0.0002","14.619","0.0002","13.9308","0.0002","90","","117.095","0.002","90","","2465.33","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl F3 N O7 -","- C27 H21 Cl F3 N O7 -","- C108 H84 Cl4 F12 N4 O28 -","4","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0584","0.0542","","","0.1559","0.1594","","","","","","1.101","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157798","8.8532","0.0001","13.7373","0.0002","11.5286","0.0002","90","","107.761","0.002","90","","1335.27","0.04","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O6 -","- C28 H26 F3 N3 O6 -","- C56 H52 F6 N6 O12 -","2","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0885","0.0893","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157799","8.0525","0.0005","15.8806","0.001","15.2504","0.001","90","","94.189","0.002","90","","1945","0.2","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S2 -","- C22 H21 N O2 S2 -","- C88 H84 N4 O8 S8 -","4","1","","Wu, Jia-Yu; Liao, Wei-Jr; Lin, Xiu-Yi; Liang, Chien-Fu","A facile access to <i>N</i>-sulfonylthioimidates and their use for the transformation to 3,4-dihydroquinazolines.","Organic & biomolecular chemistry","2020","18","43","8881","8885","10.1039/d0ob01963a","","","0.71076","MoKα","","0.0382","0.0333","","","0.0869","0.1018","","","","","","1.126","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157800","8.0991","0.0003","10.0866","0.0003","10.5705","0.0003","75.779","0.001","69.449","0.001","67.461","0.001","740.63","0.04","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","","Zheng, Jing; He, Xiaojie; Xu, Hong; Liu, Hua; Yang, Weiran","A formal [3 + 2] annulation reaction of propargyl sulfonium compounds and <i>N</i>-ylides: access to pyrrolo[2,1-<i>a</i>]quinolines, pyrrolo[2,1-<i>a</i>]phthalazines and indolizines.","Organic & biomolecular chemistry","2020","18","43","8867","8875","10.1039/d0ob01739f","","","1.34139","GaKα","","0.0418","0.0372","","","0.099","0.1025","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7157801","11.3742","0.0004","18.028","0.0007","7.5166","0.0003","90","","106.736","0.002","90","","1476.02","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl2 O4 -","- C15 H12 Cl2 O4 -","- C60 H48 Cl8 O16 -","4","1","","Xie, Zhen-Zhen; Deng, Zhi-Xiong; Zheng, Yu; Chen, Yan-Shan; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-mediated domino sequence of salicylaldehyde with but-3-yn-2-one: rapid access to chromanone.","Organic & biomolecular chemistry","2020","18","43","8916","8920","10.1039/d0ob01588a","","","0.71073","MoKα","","0.0527","0.0451","","","0.1268","0.1359","","","","","","1.052","","","","has coordinates","298328","2025-03-07","16:31:40",""
"7157802","8.1722","0.0004","10.5252","0.0005","13.3654","0.0006","80.905","0.001","79.401","0.001","76.274","0.001","1089.82","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N2 O3 S -","- C24 H19 Br N2 O3 S -","- C48 H38 Br2 N4 O6 S2 -","2","1","","Feng, Jiajun; He, Tiantong; Xie, Yuxing; Yu, Yang; Baell, Jonathan B.; Huang, Fei","I<sub>2</sub>-Promoted [4 + 2] cycloaddition of <i>in situ</i> generated azoalkenes with enaminones: facile and efficient synthesis of 1,4-dihydropyridazines and pyridazines.","Organic & biomolecular chemistry","2020","18","46","9483","9493","10.1039/d0ob01958e","","","0.71073","MoKα","","0.0352","0.03","","","0.0784","0.0819","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:09",""
"7201564","13.22","0.003","13.543","0.003","19.421","0.004","99.88","0.03","102.01","0.03","96.01","0.03","3314.8","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","6,7-dicyano-2,3-di-(4-(2,3,4,5- tetraphenylphenyl)phenyl)quinoxaline","","","- C82.75 H53.5 Cl1.5 N4 O2.5 -","- C82.748 H53.496 Cl1.496 N4 O2.454 -","- C165.496 H106.992 Cl2.992 N8 O4.908 -","2","1","","Xu, Xinjun; Yu, Gui; Chen, Shiyan; Di, Chong'an; Liu, Yunqi","Synthesis and characterization of a quinoxaline compound containing polyphenylphenyl and strong electron-accepting groups, and its multiple applications in electroluminescent devices","Journal of Materials Chemistry","2008","18","3","299","","10.1039/b710139b","","","0.71069","MoKα","","0.2187","0.1102","","","0.296","0.3199","","","","","","1.41","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201667","7.81357","0.00009","20.39273","0.00027","6.849","0.00008","90","","92.4813","0.0007","90","","1090.3","0.02","300","","","","","","","","","","","4","C 1 c 1","C -2yc","9","Zn+1,3-adamantandicarboxylsyre","","","- C12 H14 O4 Zn -","- C12 H14 O4 Zn -","- C48 H56 O16 Zn4 -","4","1","","Nielsen, Renie Birkedal; Kongshaug, Kjell Ove; Fjellvåg, Helmer","Delamination, synthesis, crystal structure and thermal properties of the layered metal-organic compound Zn(C12H14O4)","Journal of Materials Chemistry","2008","18","9","1002","","10.1039/b712479a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201721","22.3534","0.0004","22.3534","0.0003","41.1462","0.0003","90","","90","","120","","17805.2","0.4","233","2","233","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C89.6 H76.4 Cl18 Cu6 N6 O43 -","- C89.6 H24 Cl18 Cu6 N6 O43.02 -","- C537.6 H144 Cl108 Cu36 N36 O258.12 -","6","0.166667","","Roques, Nans; Maspoch, Daniel; Luis, Fernando; Camón, Agustín; Wurst, Klaus; Datcu, Angela; Rovira, Concepció; Ruiz-Molina, Daniel; Veciana, Jaume","A hexacarboxylic open-shell building block: synthesis, structure and magnetism of a three-dimensional metal‒radical framework","Journal of Materials Chemistry","2008","18","1","98","","10.1039/b713705b","","","0.71073","MoKα","","0.0772","0.0656","","","0.1883","0.1973","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201722","22.4479","0.0005","22.4479","0.0007","41.172","0.0006","90","","90","","120","","17967.4","0.7","233","2","233","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C98 H94 Cl18 Cu6 N6 O40 -","- C98 H74 Cl18 Cu6 N6 O40 -","- C588 H444 Cl108 Cu36 N36 O240 -","6","0.166667","","Roques, Nans; Maspoch, Daniel; Luis, Fernando; Camón, Agustín; Wurst, Klaus; Datcu, Angela; Rovira, Concepció; Ruiz-Molina, Daniel; Veciana, Jaume","A hexacarboxylic open-shell building block: synthesis, structure and magnetism of a three-dimensional metal‒radical framework","Journal of Materials Chemistry","2008","18","1","98","","10.1039/b713705b","","","0.71073","MoKα","","0.0624","0.0506","","","0.1336","0.1409","","","","","","1.074","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201731","10.484","0.003","10.86","0.003","14.752","0.003","93.617","0.004","104.214","0.004","98.912","0.004","1599.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H37 N O10 Pt -","- C35 H37 N O10 Pt -","- C70 H74 N2 O20 Pt2 -","2","1","","Venkatesan, Koushik; Kouwer, Paul H. J.; Yagi, Shigeyuki; Müller, Peter; Swager, Timothy M.","Columnar mesophases from half-discoid platinum cyclometalated metallomesogens","Journal of Materials Chemistry","2008","18","4","400","","10.1039/b714291a","","","0.71073","MoKα","","0.0225","0.0203","","","0.0505","0.0516","","","","","","1.077","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201732","20.996","0.0019","10.4617","0.001","15.1265","0.0014","90","","112.473","0.001","90","","3070.3","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H31 Cl2 N O8 Pt S -","- C31 H31 Cl2 N O8 Pt S -","- C124 H124 Cl8 N4 O32 Pt4 S4 -","4","1","","Venkatesan, Koushik; Kouwer, Paul H. J.; Yagi, Shigeyuki; Müller, Peter; Swager, Timothy M.","Columnar mesophases from half-discoid platinum cyclometalated metallomesogens","Journal of Materials Chemistry","2008","18","4","400","","10.1039/b714291a","","","0.71073","MoKα","","0.015","0.0142","","","0.0248","0.025","","","","","","0.988","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201733","12.112","0.002","5.4414","0.0011","17.026","0.003","90","","110.51","0.03","90","","1051","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C20 H12 Ni1 S8","","","- C20 H12 Ni S8 -","- C20 H12 Ni S8 -","- C40 H24 Ni2 S16 -","2","0.5","","Anjos, Tania; Roberts-Bleming, Susan J.; Charlton, Adam; Robertson, Neil; Mount, Andrew R.; Coles, Simon J.; Hursthouse, Michael B.; Kalaji, Maher; Murphy, Patrick J.","Nickel dithiolenes containing pendant thiophene units: precursors to dithiolene‒polythiophene hybrid materials","Journal of Materials Chemistry","2008","18","4","475","","10.1039/b714372a","","","0.71073","MoKα","","0.0369","0.03","","","0.0703","0.0735","","","","","","1.066","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201734","9.5217","0.0019","9.81","0.002","11.985","0.002","90.14","0.03","100.37","0.03","93.73","0.03","1098.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","C20 H8 Ni1 S8","","","- C20 H12 Ni S8 -","- C20 H12 Ni S8 -","- C40 H24 Ni2 S16 -","2","1","","Anjos, Tania; Roberts-Bleming, Susan J.; Charlton, Adam; Robertson, Neil; Mount, Andrew R.; Coles, Simon J.; Hursthouse, Michael B.; Kalaji, Maher; Murphy, Patrick J.","Nickel dithiolenes containing pendant thiophene units: precursors to dithiolene‒polythiophene hybrid materials","Journal of Materials Chemistry","2008","18","4","475","","10.1039/b714372a","","","0.71073","MoKα","","0.0428","0.0356","","","0.0928","0.0977","","","","","","1.052","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201752","6.0191","0.0011","9.059","0.002","17.191","0.006","100.69","0.02","95.305","0.019","91.741","0.015","916.1","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 N2 S -","- C50 H34 N2 S -","- C50 H34 N2 S -","1","0.5","","Wei, Peng; Duan, Lian; Zhang, Deqiang; Qiao, Juan; Wang, Liduo; Wang, Ruji; Dong, Guifang; Qiu, Yong","A new type of light-emitting naphtho[2,3-c][1,2,5]thiadiazole derivatives: synthesis, photophysical characterization and transporting properties","Journal of Materials Chemistry","2008","18","7","806","","10.1039/b714539j","","","0.71073","MoKα","","0.2145","0.1114","","","0.2111","0.2355","","","","","","1.069","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201753","9.3698","0.001","28.45","0.003","9.4857","0.0011","90","","107.178","0.003","90","","2415.8","0.5","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 N2 S -","- C34 H22 N2 S -","- C136 H88 N8 S4 -","4","0.5","","Wei, Peng; Duan, Lian; Zhang, Deqiang; Qiao, Juan; Wang, Liduo; Wang, Ruji; Dong, Guifang; Qiu, Yong","A new type of light-emitting naphtho[2,3-c][1,2,5]thiadiazole derivatives: synthesis, photophysical characterization and transporting properties","Journal of Materials Chemistry","2008","18","7","806","","10.1039/b714539j","","","0.71073","MoKα","","0.1079","0.0727","","","0.1376","0.1501","","","","","","1.032","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201779","9.41","0.002","9.41","0.002","17.809","0.004","90","","90","","120","","1365.7","0.5","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C26 H41 Cr Mn N3 O14 -","- C17.88 H26.73 Cr Mn N O12 -","- C35.76 H53.46 Cr2 Mn2 N2 O24 -","2","0.333333","","Coronado, Eugenio; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Romero, Francisco M.; Tarazón, Ana","Layered ferromagnets hosting tetraalkylammonium-substituted nitronyl nitroxide free radicals","Journal of Materials Chemistry","2008","18","8","929","","10.1039/b715739h","","","0.71073","MoKα","","0.2","0.0967","","","0.2294","0.279","","","","","","1.051","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201782","33.557","0.01","15.363","0.005","13.991","0.005","90","","98.497","0.006","90","","7134","4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 N4 S2 -","- C41 H36 N4 S2 -","- C328 H288 N32 S16 -","8","1","","Qi, Ting; Liu, Yunqi; Qiu, Wenfeng; Zhang, Hengjun; Gao, Xike; Liu, Ying; Lu, Kun; Du, Chunyan; Yu, Gui; Zhu, Daoben","Synthesis and properties of fluorene or carbazole-based and dicyanovinyl-capped n-type organic semiconductors","Journal of Materials Chemistry","2008","18","10","1131","","10.1039/b715920j","","","0.71073","MoKα","","0.2002","0.0637","","","0.1265","0.1711","","","","","","0.92","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201801","7.0996","0.0013","6.8561","0.0012","8.9728","0.0016","90","","94.854","0.003","90","","435.19","0.13","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C H3 B Cl5 N Si -","- C H3 B Cl5 N Si -","- C2 H6 B2 Cl10 N2 Si2 -","2","0.5","","Weinmann, Markus; Kroschel, Matthias; Jäschke, Thomas; Nuss, Jürgen; Jansen, Martin; Kolios, Grigorios; Morillo, Aristides; Tellaeche, Carlos; Nieken, Ulrich","Towards continuous processes for the synthesis of precursors of amorphous Si/B/N/C ceramics","Journal of Materials Chemistry","2008","18","15","1810","","10.1039/b716144a","","","0.71073","MoKα","","0.0312","0.0273","","","0.0672","0.0697","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7201820","12.585","0.0013","12.9929","0.0013","14.2161","0.0015","110.801","0.012","114.727","0.013","97.63","0.012","1862.3","0.5","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H89 O19 Sn6 -","- C68 H89 O19 Sn6 -","- C68 H89 O19 Sn6 -","1","0.5","","Delavaux-Nicot, Béatrice; Kaeser, Adrien; Hahn, Uwe; Gégout, Aline; Brandli, Pierre-Elie; Duhayon, Carine; Coppel, Yannick; Saquet, Alix; Nierengarten, Jean-François","Organotin chemistry for the preparation of fullerene-rich nanostructures","Journal of Materials Chemistry","2008","18","13","1547","","10.1039/b716506d","","","0.71073","MoKα","","0.048","0.0397","","0.0519","0.0484","0.0484","","","","","","1.0821","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201826","13.7062","0.0005","21.5592","0.0008","22.5411","0.0008","90","","94.493","0.002","90","","6640.3","0.4","193","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 Cl6 N S Sb -","- C32 H33 Cl6 N S Sb -","- C256 H264 Cl48 N8 S8 Sb8 -","8","2","","Oka, Hiroyuki","Synthesis and through-bond spin interaction of stable 1,3-phenylene linked poly(phenothiazine cation radical)","Journal of Materials Chemistry","2008","18","16","1927","","10.1039/b716919a","","","0.7107","MoKα","","0.059","0.0526","","","0.1083","0.1113","","","","","","1.17","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201834","19.8513","0.0004","5.3006","0.0001","22.6989","0.0005","90","","93.5526","0.0008","90","","2383.87","0.08","90","0.2","90","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C136 H120 -","4","1","","Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.","The influence of side chains on the structures and properties of functionalized pentacenes","Journal of Materials Chemistry","2008","18","17","1961","","10.1039/b717082c","","","0.71073","MoKα","","0.1165","0.0482","","","0.0949","0.1163","","","","","","0.98","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7201835","6.6368","0.0001","8.3446","0.0002","13.7421","0.0003","105.526","0.0009","100.252","0.0009","92.736","0.0009","717.92","0.03","90","0.2","90","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H38 -","- C38 H38 -","- C38 H38 -","1","0.5","","Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.","The influence of side chains on the structures and properties of functionalized pentacenes","Journal of Materials Chemistry","2008","18","17","1961","","10.1039/b717082c","","","0.71073","MoKα","","0.0865","0.0474","","","0.1145","0.1343","","","","","","0.993","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7201836","12.3212","0.0003","5.142","0.0002","20.803","0.0007","90","","101.16","0.0012","90","","1293.06","0.07","90","0.2","90","0.2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 -","- C36 H34 -","- C72 H68 -","2","0.5","","Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.","The influence of side chains on the structures and properties of functionalized pentacenes","Journal of Materials Chemistry","2008","18","17","1961","","10.1039/b717082c","","","0.71073","MoKα","","0.1015","0.051","","","0.1073","0.1259","","","","","","0.975","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7201837","8.8577","0.0001","11.129","0.0001","12.5975","0.0001","101.919","0.0004","93.8211","0.0004","101.29","0.0004","1184.1","0.02","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H74 Si2 -","- C54 H74 Si2 -","- C54 H74 Si2 -","1","0.5","","Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.","The influence of side chains on the structures and properties of functionalized pentacenes","Journal of Materials Chemistry","2008","18","17","1961","","10.1039/b717082c","","","0.71073","MoKα","","0.0435","0.0366","","","0.1005","0.1053","","","","","","1.006","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7201838","8.884","0.0002","22.324","0.0005","10.797","0.0003","90","","110.146","0.001","90","","2010.32","0.09","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Si2 -","- C46 H58 Si2 -","- C92 H116 Si4 -","2","0.5","","Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.","The influence of side chains on the structures and properties of functionalized pentacenes","Journal of Materials Chemistry","2008","18","17","1961","","10.1039/b717082c","","","0.71073","MoKα","","0.0973","0.0503","","","0.1143","0.1331","","","","","","1.049","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7201839","10.6177","0.0002","13.6171","0.0003","14.0829","0.0003","75.154","0.001","73.915","0.001","71.123","0.001","1819.86","0.07","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 Si2 -","- C42 H50 Si2 -","- C84 H100 Si4 -","2","1","","Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.","The influence of side chains on the structures and properties of functionalized pentacenes","Journal of Materials Chemistry","2008","18","17","1961","","10.1039/b717082c","","","1.54178","CuKα","","0.1097","0.0769","","","0.2086","0.2414","","","","","","1.028","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7201840","10.3715","0.0002","15.4649","0.0002","27.5066","0.0004","90","","90","","90","","4411.9","0.12","90","0.2","90","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Si2 -","- C50 H66 Si2 -","- C200 H264 Si8 -","4","0.5","","Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.","The influence of side chains on the structures and properties of functionalized pentacenes","Journal of Materials Chemistry","2008","18","17","1961","","10.1039/b717082c","","","1.54178","CuKα","","0.0429","0.036","","","0.0931","0.0985","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7201871","27.474","0.006","11.463","0.003","7.459","0.0014","90","","96.485","0.016","90","","2334.1","0.9","293","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,5-ethylnenedioxy-4'methyltetrathiafulvalene","4,5-ethylnenedioxy-4'methyltetrathiafulvalene","","- C9 H8 O2 S4 -","- C9 H8 O2 S4 -","- C72 H64 O16 S32 -","8","2","","Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya","Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives","Journal of Materials Chemistry","2008","18","18","2131","","10.1039/b717621j","","","0.71073","MoKα","","0.0546","0.0546","","","0.1701","0.1701","","","","","","1.212","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7201872","13.681","0.001","17.438","0.0013","10.53","0.0006","90","","90","","90","","2512.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4,5-ethylenedioxy-4'-methylthiotetrathiafulvalene'","4,5-ethylenedioxy-4'-methylthiotetrathiafulvalene'","","- C9 H8 O2 S5 -","- C9 H8 O2 S5 -","- C72 H64 O16 S40 -","8","1","","Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya","Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives","Journal of Materials Chemistry","2008","18","18","2131","","10.1039/b717621j","","","0.71069","MoKα","","0.0772","0.0489","","","0.1304","0.1441","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7201873","28.752","0.0017","12.369","0.0012","6.969","0.0008","90","","90","","90","","2478.4","0.4","295","2","295","2","","","","","","","","6","C m c m","-C 2c 2","63","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene- tetrafluoroborate","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-tetrafluoroborate","","- C18 H16 B F4 O4 S8 -","- C18 H8 B F3.5 O4 S8 -","- C72 H32 B4 F14 O16 S32 -","4","0.25","","Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya","Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives","Journal of Materials Chemistry","2008","18","18","2131","","10.1039/b717621j","","","0.71073","MoKα","","0.0725","0.0574","","","0.1644","0.1793","","","","","","1.044","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201874","29.107","0.003","12.412","0.0006","6.962","0.0007","90","","90","","90","","2515.2","0.4","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perchlorate","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perchlorate","","- C18 H16 Cl O8 S8 -","- C18 H8 Cl O7.5 S8 -","- C72 H32 Cl4 O30 S32 -","4","0.25","","Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya","Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives","Journal of Materials Chemistry","2008","18","18","2131","","10.1039/b717621j","","","0.71073","MoKα","","0.0654","0.0492","","","0.1471","0.162","","","","","","1.054","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201916","7.9605","0.0005","17.0682","0.0013","22.327","0.0017","69.628","0.004","89.239","0.004","79.236","0.004","2789.4","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(n-Bu!4$N)!2$(Ni(dcbdt)!2$)!5$!","","","- C112 H92 N22 Ni5 S20 -","- C112 H92 N22 Ni5 S20 -","- C112 H92 N22 Ni5 S20 -","1","0.5","","Lopes, Elsa B.; Alves, Helena; Santos, Isabel C.; Graf, David; Brooks, James S.; Canadell, Enric; Almeida, Manuel","The family of molecular conductors [(n-Bu)4N]2[M(dcbdt)2]5, M = Cu, Ni, Au; band filling and stacking modulation effects","Journal of Materials Chemistry","2008","18","24","2825","","10.1039/b719418h","","","0.71073","MoKα","","0.2184","0.0726","","","0.1229","0.1472","","","","","","0.882","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201917","7.973","0.004","17.322","0.003","23.171","0.004","68.119","0.009","88.882","0.008","78.409","0.009","2903.6","1.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(n-Bu!4$N)!2$(Au(dcbdt)!2$)!5$!","","","- C112 H92 Au5 N22 S20 -","- C112 H92 Au5 N22 S20 -","- C112 H92 Au5 N22 S20 -","1","0.5","","Lopes, Elsa B.; Alves, Helena; Santos, Isabel C.; Graf, David; Brooks, James S.; Canadell, Enric; Almeida, Manuel","The family of molecular conductors [(n-Bu)4N]2[M(dcbdt)2]5, M = Cu, Ni, Au; band filling and stacking modulation effects","Journal of Materials Chemistry","2008","18","24","2825","","10.1039/b719418h","","","0.71069","MoKα","","0.2473","0.0801","","","0.0987","0.1242","","","","","","0.885","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201918","7.9351","0.0001","17.0822","0.0003","22.9746","0.0004","68.763","0.002","88.809","0.001","78.163","0.001","2836.08","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(n-Bu!4$N)!2$(Au(dcbdt)!2$)!5$!","","","- C112 H92 Au5 N22 S20 -","- C112 H92 Au5 N22 S20 -","- C112 H92 Au5 N22 S20 -","1","0.5","","Lopes, Elsa B.; Alves, Helena; Santos, Isabel C.; Graf, David; Brooks, James S.; Canadell, Enric; Almeida, Manuel","The family of molecular conductors [(n-Bu)4N]2[M(dcbdt)2]5, M = Cu, Ni, Au; band filling and stacking modulation effects","Journal of Materials Chemistry","2008","18","24","2825","","10.1039/b719418h","","","0.71073","MoKα","","0.0375","0.0245","","","0.0529","0.0565","","","","","","1.006","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201956","15.6727","0.0019","20.528","0.002","17.462","0.002","90","","91.444","0.002","90","","5616.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H48 Cl3 Ir N6 O3 -","- C66 H48 Cl3 Ir N6 O3 -","- C264 H192 Cl12 Ir4 N24 O12 -","4","1","","Tong, Bihai; Mei, Qunbo; Wang, Shuanjin; Fang, Yuan; Meng, Yuezhong; Wang, Biao","Nearly 100% internal phosphorescence efficiency in a polymer light-emitting diode using a new iridium complex phosphor","Journal of Materials Chemistry","2008","18","14","1636","","10.1039/b800977e","","","0.71073","MoKα","","0.0608","0.0319","","","0.0707","0.084","","","","","","1.055","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201966","5.916","0.01","7.78","0.01","18.02","0.02","85.34","0.05","98.25","0.06","93.72","0.06","817","2","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 S2 -","- C24 H12 S2 -","- C48 H24 S4 -","2","1","","Mamada, Masashi; Nishida, Jun-ichi; Kumaki, Daisuke; Tokito, Shizuo; Yamashita, Yoshiro","High performance organic field-effect transistors based on [2,2′]bi[naphtho[2,3-b]thiophenyl] with a simple structure","Journal of Materials Chemistry","2008","18","29","3442","","10.1039/b801425f","","","0.7107","MoKα","","","0.0511","","","","0.1427","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202021","25.5883","0.0013","14.0036","0.0007","33.5098","0.0017","90","","107.722","0.001","90","","11437.7","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H169 Ag6 Cl3 N6 P12 S12 -","- C73 H169 Ag6 Cl3 N6 P12 S12 -","- C292 H676 Ag24 Cl12 N24 P48 S48 -","4","1","","Panneerselvam, Arunkumar; Malik, Mohammad A.; O'Brien, Paul; Raftery, James","The CVD of silver sulfide and silver thin films from a homoleptic crystalline single-source precursor","Journal of Materials Chemistry","2008","18","27","3264","","10.1039/b802616e","","","0.71073","MoKα","","0.0709","0.0476","","","0.0676","0.0725","","","","","","0.986","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202074","17.034","0.005","10.422","0.002","24.427","0.008","90","","90","","90","","4336","2","203","2","203","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C58 H46 Si -","- C58 H46 Si -","- C232 H184 Si4 -","4","0.5","","Zhan, Xiaowei; Haldi, Andreas; Risko, Chad; Chan, Calvin K.; Zhao, Wei; Timofeeva, Tatiana V.; Korlyukov, Aleksander; Antipin, Mikhail Yu.; Montgomery, Sarah; Thompson, Evans; An, Zesheng; Domercq, Benoit; Barlow, Stephen; Kahn, Antoine; Kippelen, Bernard; Brédas, Jean-Luc; Marder, Seth R.","Fluorenyl-substituted silole molecules: geometric, electronic, optical, and device properties","Journal of Materials Chemistry","2008","18","26","3157","","10.1039/b803470b","","","0.71073","MoKα","","0.1929","0.0623","","","0.1229","0.1409","","","","","","0.937","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202075","13.448","0.004","10.218","0.002","25.111","0.006","90","","97.34","0.02","90","","3422.3","1.5","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 Si -","- C47 H34 Si -","- C188 H136 Si4 -","4","1","","Zhan, Xiaowei; Haldi, Andreas; Risko, Chad; Chan, Calvin K.; Zhao, Wei; Timofeeva, Tatiana V.; Korlyukov, Aleksander; Antipin, Mikhail Yu.; Montgomery, Sarah; Thompson, Evans; An, Zesheng; Domercq, Benoit; Barlow, Stephen; Kahn, Antoine; Kippelen, Bernard; Brédas, Jean-Luc; Marder, Seth R.","Fluorenyl-substituted silole molecules: geometric, electronic, optical, and device properties","Journal of Materials Chemistry","2008","18","26","3157","","10.1039/b803470b","","","0.71073","MoKα","","0.0683","0.0416","","","0.095","0.0998","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202097","8.76","0.0018","13.344","0.003","13.754","0.003","90","","90","","90","","1607.8","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H14 B2 Cl6 N2 Si2 -","- C4 H14 B2 Cl6 N2 Si2 -","- C16 H56 B8 Cl24 N8 Si8 -","4","0.5","","Müller, Utz; Weinmann, Markus; Jansen, Martin","Cl2MeSi–NH–BCl2 and ClMe2Si–NH–BCl2: novel processable single source precursors of amorphous Si/C/B/N ceramics","Journal of Materials Chemistry","2008","18","31","3671","","10.1039/b803899f","","","0.71073","MoKα","","0.0447","0.0436","","","0.1037","0.1072","","","","","","1.276","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202102","6.4194","0.0013","8.268","0.0017","15.213","0.003","90","","92.69","0.03","90","","806.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C36 H28 N8 O8 -","2","0.5","","Qu, Songnan; Chen, Xiaofang; Shao, Xiang; Li, Fan; Zhang, Hongyu; Wang, Haitao; Zhang, Peng; Yu, Zhixin; Wu, Kai; Wang, Yue; Li, Min","Self-assembly of highly luminescent bi-1,3,4-oxadiazole derivatives through electron donor‒acceptor interactions in three-dimensional crystals, two-dimensional layers and mesophases","Journal of Materials Chemistry","2008","18","33","3954","","10.1039/b804189j","","","0.71073","MoKα","","0.058","0.0368","","","0.0916","0.0983","","","","","","1.087","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202144","26.1732","0.0002","15.7673","0.0002","18.1899","0.0002","90","","117.832","0.001","90","","6638.26","0.14","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Cl2 F6 Ir N6 -","- C36 H21 Cl2 F6 Ir N6 -","- C288 H168 Cl16 F48 Ir8 N48 -","8","1","","Orselli, Enrico; Albuquerque, Rodrigo Q.; Fransen, P. Michel; Fröhlich, Roland; Janssen, Henk M.; De Cola, Luisa","1,2,3-Triazolyl-pyridine derivatives as chelating ligands for blue iridium(iii) complexes. Photophysics and electroluminescent devices","Journal of Materials Chemistry","2008","18","38","4579","","10.1039/b805324c","","","0.71073","MoKα","","0.0453","0.0338","","","0.0839","0.0886","","","","","","1.045","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202145","25.9847","0.0002","16.2224","0.0002","18.3429","0.0002","90","","116.537","0.001","90","","6917.55","0.14","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 F9 Ir N6 O -","- C39 H24 F9 Ir N6 O -","- C312 H192 F72 Ir8 N48 O8 -","8","1","","Orselli, Enrico; Albuquerque, Rodrigo Q.; Fransen, P. Michel; Fröhlich, Roland; Janssen, Henk M.; De Cola, Luisa","1,2,3-Triazolyl-pyridine derivatives as chelating ligands for blue iridium(iii) complexes. Photophysics and electroluminescent devices","Journal of Materials Chemistry","2008","18","38","4579","","10.1039/b805324c","","","0.71073","MoKα","","0.0388","0.0263","","","0.0571","0.061","","","","","","1.051","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202174","15.3491","0.001","15.7065","0.001","15.7888","0.001","66.033","0.001","61.608","0.001","62.436","0.001","2882.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C78.5 H49 Cl -","- C78.5 H49 Cl -","- C157 H98 Cl2 -","2","1","","Wang, Lei; Wong, Wai-Yeung; Lin, Mei-Fang; Wong, Wai-Kwok; Cheah, Kok-Wai; Tam, Hoi-Lam; Chen, Chin H.","Novel host materials for single-component white organic light-emitting diodes based on 9-naphthylanthracene derivatives","Journal of Materials Chemistry","2008","18","38","4529","","10.1039/b806183a","","","0.71073","MoKα","","0.1315","0.0932","","","0.2521","0.2973","","","","","","0.979","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202178","4.20533","0.00004","4.20533","","4.20533","","90","","90","","90","","74.3704","0.0007","295","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","?","- Ba0.97334 O2.931 Y0.1 Zr0.915 -","- Ba0.97334 O2.931 Y0.1 Zr0.915 -","","","","Azad, Abul K.; Savaniu, Cristian; Tao, Shanwen; Duval, Sophie; Holtappels, Peter; Ibberson, Richard M.; Irvine, John T. S.","Structural origins of the differing grain conductivity values in BaZr0.9Y0.1O2.95 and indication of novel approach to counter defect association","Journal of Materials Chemistry","2008","18","29","3414","","10.1039/b806190d","powder diffraction","","","","","","","","","","","","","1.07","","","","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202179","4.19943","0.000014","4.19943","","4.19943","","90","","90","","90","","74.0578","0.0002","295","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ba O2.68 Y0.1 Zr0.9 -","- Ba O2.6796 Y0.1 Zr0.9 -","- Ba O2.6796 Y0.1 Zr0.9 -","1","0.0208333","","Azad, Abul K.; Savaniu, Cristian; Tao, Shanwen; Duval, Sophie; Holtappels, Peter; Ibberson, Richard M.; Irvine, John T. S.","Structural origins of the differing grain conductivity values in BaZr0.9Y0.1O2.95 and indication of novel approach to counter defect association","Journal of Materials Chemistry","2008","18","29","3414","","10.1039/b806190d","powder diffraction","","","","","","","","","","","","","1.26","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202196","12.042","0.003","12.306","0.003","11.691","0.004","95.75","0.03","111.52","0.02","83.2","0.02","1597.3","0.8","294.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 N2 O5 P S -","- C34 H38 N2 O5 P S -","- C68 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Sato, Keiko; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","The first organic paramagnetic metal containing the aminoxyl radical","Journal of Materials Chemistry","2008","18","28","3313","","10.1039/b806694a","","","0.71069","MoKα","","","0.0516","","","","0.0597","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202197","12.436","0.004","19.528","0.006","9.326","0.003","97.06","0.03","110.22","0.03","83.44","0.03","2102.9","1.2","295.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N2 O5 S17 -","- C30 H34 N2 O5 S17 -","- C60 H68 N4 O10 S34 -","2","1","","Akutsu, Hiroki; Sato, Keiko; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","The first organic paramagnetic metal containing the aminoxyl radical","Journal of Materials Chemistry","2008","18","28","3313","","10.1039/b806694a","","","0.71069","MoKα","","","0.0633","","","","0.0676","","","","","","1.134","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202225","7.6566","0.0007","14.2184","0.0013","12.4639","0.0011","90","","91.546","0.002","90","","1356.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","KP23","","","- C15 H20 O Zr -","- C15 H20 O Zr -","- C60 H80 O4 Zr4 -","4","1","","Black, Kate; Aspinall, Helen C.; Jones, Anthony C.; Przybylak, Katarzyna; Bacsa, John; Chalker, Paul R.; Taylor, Stephen; Zhao, Ce Zhou; Elliott, Simon D.; Zydor, Aleksandra; Heys, Peter N.","Deposition of ZrO2 and HfO2 thin films by liquid injection MOCVD and ALD using ansa-metallocene zirconium and hafnium precursors","Journal of Materials Chemistry","2008","18","38","4561","","10.1039/b807205a","","","0.71073","MoKα","","0.0208","0.019","","","0.0486","0.0496","","","","","","1.064","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202226","7.17","0.0014","9.053","0.0018","10.385","0.002","90","","91.14","0.03","90","","674","0.2","211","2","211","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","KP24","","","- C15 H20 Hf -","- C15 H20 Hf -","- C30 H40 Hf2 -","2","0.5","","Black, Kate; Aspinall, Helen C.; Jones, Anthony C.; Przybylak, Katarzyna; Bacsa, John; Chalker, Paul R.; Taylor, Stephen; Zhao, Ce Zhou; Elliott, Simon D.; Zydor, Aleksandra; Heys, Peter N.","Deposition of ZrO2 and HfO2 thin films by liquid injection MOCVD and ALD using ansa-metallocene zirconium and hafnium precursors","Journal of Materials Chemistry","2008","18","38","4561","","10.1039/b807205a","","","0.71073","MoKα","","0.0305","0.0255","","","0.0594","0.0602","","","","","","0.998","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202282","4.7896","0.001","23.389","0.005","11.493","0.002","90","","97.35","0.03","90","","1276.9","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N3 S2 -","- C16 H9 N3 S2 -","- C64 H36 N12 S8 -","4","1","","Hong, Wei; Wei, Zhongming; Xi, Hongxia; Xu, Wei; Hu, Wenping; Wang, Quanrui; Zhu, Daoben","6H-Pyrrolo[3,2-b:4,5-b′]bis[1,4]benzothiazines: facilely synthesized semiconductors for organic field-effect transistors","Journal of Materials Chemistry","2008","18","40","4814","","10.1039/b809486a","","","0.71073","MoKα","","0.0926","0.0668","","","0.137","0.1503","","","","","","1.128","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202384","9.3669","0.0019","10.531","0.002","6.8081","0.0014","90","","90.42","0.03","90","","671.6","0.2","200","2","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-Bis(1H-tetrazol-5-yl)amine monohydrate","N,N-Bis(1H-tetrazol-5-yl)amine monohydrate","","- C2 H5 N9 O -","- C2 H5 N9 O -","- C8 H20 N36 O4 -","4","1","","Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.","Bistetrazolylamines—synthesis and characterization","Journal of Materials Chemistry","2008","18","43","5248","","10.1039/b811273h","","","0.71073","MoKα","","0.0464","0.0367","","","0.0935","0.0998","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202385","15.933","0.0014","6.8863","0.0006","19.9204","0.0015","90","","104.227","0.007","90","","2118.6","0.3","200","2","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5,5-Bis(1H-tetrazolyl)amine monoydrate dimethylsulfoxid","5,5-Bis(1H-tetrazolyl)amine monoydrate dimethylsulfoxid","","- C4 H11 N9 O2 S -","- C4 H11 N9 O2 S -","- C32 H88 N72 O16 S8 -","8","1","","Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.","Bistetrazolylamines—synthesis and characterization","Journal of Materials Chemistry","2008","18","43","5248","","10.1039/b811273h","","","0.71073","MoKα","","0.0439","0.0406","","","0.1035","0.1067","","","","","","1.114","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202386","3.852","0.0012","19.395","0.005","5.769","0.0018","90","","95.6","0.03","90","","428.9","0.2","200","2","200","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","5,5-Bis(2-methyltetrazolyl)methylamine","5,5-Bis(2-methyltetrazolyl)methylamine","","- C5 H9 N9 -","- C5 H9 N9 -","- C10 H18 N18 -","2","0.5","","Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.","Bistetrazolylamines—synthesis and characterization","Journal of Materials Chemistry","2008","18","43","5248","","10.1039/b811273h","","","0.71073","MoKα","","0.0714","0.057","","","0.1252","0.1353","","","","","","1.176","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202387","10.279","0.002","11.338","0.002","6.772","0.0014","90","","94.74","0.03","90","","786.5","0.3","200","2","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bis-(2-methyl-tetrazolyl)amine","Bis-(2-methyl-tetrazolyl)amine","","- C4 H7 N9 -","- C4 H7 N9 -","- C16 H28 N36 -","4","1","","Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.","Bistetrazolylamines—synthesis and characterization","Journal of Materials Chemistry","2008","18","43","5248","","10.1039/b811273h","","","0.71073","MoKα","","0.0573","0.0407","","","0.1096","0.1171","","","","","","1.139","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202388","11.109","0.002","9.2272","0.0018","21.327","0.004","90","","90","","90","","2186.1","0.7","200","2","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","N,N-Bis(1H-tetrazol-5-yl)amine","N,N-Bis(1H-tetrazol-5-yl)amine","","- C2 H3 N9 -","- C2 H3 N9 -","- C32 H48 N144 -","16","2","","Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.","Bistetrazolylamines—synthesis and characterization","Journal of Materials Chemistry","2008","18","43","5248","","10.1039/b811273h","","","0.71073","MoKα","","0.0645","0.0396","","","0.091","0.1022","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202399","5.6667","0.0006","9.4916","0.0011","15.9768","0.0018","90","","90","","90","","859.33","0.17","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C2H8N5, CH2N5","","","- C3 H10 N10 -","- C3 H10 N10 -","- C12 H40 N40 -","4","1","","Tao, Guo-Hong; Guo, Yong; Joo, Young-Hyuk; Twamley, Brendan; Shreeve, Jean'ne M.","Energetic nitrogen-rich salts and ionic liquids: 5-aminotetrazole (AT) as a weak acid","Journal of Materials Chemistry","2008","18","45","5524","","10.1039/b811506k","","","0.71073","MoKα","","0.0299","0.0291","","","0.0758","0.0767","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7209475","5.6","","5.25","","9.04","","90","","90","","90","","265.776","","","","","","","","","","","","","3","I 2 2 2","I 2 2","23","","B (P S4)","","- B P S4 -","- B P S4 -","- B2 P2 S8 -","2","0.25","","Schaefer, H.; Weiss, A.","Zur Kenntnis von Bortetrathiophosphat B P S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1963","18","","81","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220499","16.3977","0.0007","3.8099","0.0001","45.645","0.002","90","","90","","90","","2851.61","0.19","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Kavuru, Padmini; Grebinoski, Stephanie J.; Patel, Mitulkumar A.; Wojtas, Lukasz; Chadwick, Keith","Polymorphism of vanillin revisited: the discovery and selective crystallization of a rare crystal structure","CrystEngComm","2016","18","7","1118","","10.1039/C5CE00568J","","","1.54178","CuKα","","0.0465","0.0387","","","0.0887","0.0925","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7221876","12.242","0.002","11.566","0.002","10.526","0.002","90","","93.08","0.03","90","","1488.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O2 S -","- C19 H11 N O2 S -","- C76 H44 N4 O8 S4 -","4","1","","Wan, Jie-Ping; Zhou, Youyi; Liu, Yunyun; Sheng, Shouri","Metal-free oxidative carbonylation on enaminone CC bond for the cascade synthesis of benzothiazole-containing vicinal diketones","Green Chem.","2016","18","2","402","","10.1039/C5GC01821H","","","0.71073","MoKα","","0.0543","0.0389","","","0.0961","0.1126","","","","","","1.138","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221978","10.6016","0.0004","9.5305","0.0004","10.7702","0.0005","90","","119.312","0.004","90","","948.88","0.08","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-1,3-dioxan-2-one","","- C4 H6 O4 -","- C4 H6 O4 -","- C32 H48 O32 -","8","2","","Tryznowski, M.; Żołek-Tryznowska, Z.; Świderska, A.; Parzuchowski, P. G.","Synthesis, characterization and reactivity of a six-membered cyclic glycerol carbonate bearing a free hydroxyl group","Green Chem.","2016","18","3","802","","10.1039/C5GC01688F","","","0.71073","MoKα","","0.0294","0.027","","","0.0747","0.0756","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222111","9.384","0.002","10.484","0.002","11.281","0.002","102.829","0.017","94.191","0.018","113.456","0.018","976.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H31 N O4 -","- C18 H31 N O4 -","- C36 H62 N2 O8 -","2","1","","Maleki, Abbas; Nematollahi, Davood; Rasouli, Fereshteh; Zeinodini-Meimand, Azam","Electrode instead of catalyst and enzyme. A greener protocol for the synthesis of new 2-hydroxyacetamide derivatives containing a γ-lactone ring","Green Chem.","2016","18","3","672","","10.1039/C5GC01863C","","","0.71073","MoKα","","0.1106","0.0744","","","0.188","0.2092","","","","","","1.127","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222902","9.21","","11.03","","9.58","","90","","90","","90","","973.197","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 As S4","","- As H12 N3 S4 -","- As H12 N3 S4 -","- As4 H48 N12 S16 -","4","0.5","","Schaefer, H.; Weiss, A.; Schaefer, G.","Die Kristallstruktur von Ammoniumtetrathioarsenat (N H4)3 As S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1963","18","","665","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7222916","8.5224","0.0004","10.305","0.0005","9.1442","0.0004","90","","90.3404","0.0011","90","","803.06","0.06","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate","","- C7 H10 F N O3 -","- C7 H10 F N O3 -","- C28 H40 F4 N4 O12 -","4","2","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","1.54178","CuKα","","0.0547","0.0547","","","0.152","0.152","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7222917","8.5211","0.0003","10.3039","0.0003","9.1547","0.0003","90","","90.365","0.0008","90","","803.77","0.05","120","0.2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate","","- C7 H10 F N O3 -","- C7 H10 F N O3 -","- C28 H40 F4 N4 O12 -","4","2","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","1.54178","CuKα","","0.0515","0.0513","","","0.1451","0.1455","","","","","","1.103","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7222918","5.821","0.0004","6.4875","0.0005","15.7485","0.0012","100.738","0.007","96.625","0.006","94.612","0.006","577.23","0.08","120","","120","","","","","","","","","6","P -1","-P 1","2","","dimethyl (2-aminopropyl)fluoromalonate hydrochloride","","- C8 H15 Cl F N O4 -","- C8 H15 Cl F N O4 -","- C16 H30 Cl2 F2 N2 O8 -","2","1","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","0.71073","MoKα","","0.0626","0.0521","","","0.124","0.1289","","","","","","1.165","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7222919","12.256","0.0004","6.72544","0.00017","10.4787","0.0004","90","","113.193","0.004","90","","793.92","0.05","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(rac)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate","","- C7 H10 F N O3 -","- C7 H10 F N O3 -","- C28 H40 F4 N4 O12 -","4","1","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","","0.71073","MoKα","","0.041","0.0346","","","0.0902","0.0942","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7222920","12.235","0.0007","11.3068","0.0007","7.6415","0.0004","90","","100.289","0.0017","90","","1040.12","0.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Cl F N O4 -","- C7 H13 Cl F N O4 -","- C28 H52 Cl4 F4 N4 O16 -","4","1","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","0.71073","MoKα","","0.0384","0.0341","","","0.0846","0.0873","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7222921","6.5648","0.0007","6.6759","0.0007","9.6206","0.001","98.163","0.003","100.929","0.003","101.047","0.003","399.3","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","methyl 3-fluoro-2-oxo-3-pyrrolidinecarboxylate","","- C6 H10 F N O4 -","- C6 H10 F N O4 -","- C12 H20 F2 N2 O8 -","2","1","","Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham","Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy","Green Chem.","2016","18","5","1313","","10.1039/C5GC02209F","","x-ray","0.71073","MoKα","","0.0671","0.0548","","","0.1404","0.1501","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7223177","13.519","0.002","9.896","0.0017","14.609","0.002","90","","112.259","0.003","90","","1808.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N6 O6 Zn -","- C18 H16 N6 O6 Zn -","- C72 H64 N24 O24 Zn4 -","4","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0514","0.0432","","","0.114","0.121","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223178","9.097","0.003","17.622","0.005","7.464","0.002","90","","92.337","0.006","90","","1195.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N3 O3 Zn -","- C10 H10 Cl N3 O3 Zn -","- C40 H40 Cl4 N12 O12 Zn4 -","4","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.063","0.0505","","","0.1259","0.1316","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223179","13.664","0.002","7.8616","0.0013","8.2311","0.0014","90","","91.4","0.003","90","","883.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C36 H24 N12 O8 Zn2 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0406","0.039","","","0.0747","0.0755","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223180","8.3848","0.0017","14.808","0.003","11.494","0.002","90","","90","","90","","1427.1","0.5","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C21 H26.2 Cd N7 O8.6 -","- C18 H12 Cd N6 O4 -","- C36 H24 Cd2 N12 O8 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0312","0.0284","","","0.0763","0.0779","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223181","16.68","0.003","32.764","0.007","6.5537","0.0013","90","","90","","90","","3581.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H12 Cd N6 O4 -","- C18 H12 Cd N6 O4 -","- C144 H96 Cd8 N48 O32 -","8","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0197","0.0176","","","0.0406","0.0522","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223182","12.946","0.003","17.321","0.003","22.153","0.004","70.13","0.03","76.08","0.03","73.31","0.03","4418.3","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H54.5 Cd5 Cl4 N19.5 O17.5 -","- C58.5 H46.5 Cd5 Cl4 N19.5 O17.5 -","- C117 H93 Cd10 Cl8 N39 O35 -","2","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0722","0.0545","","","0.1593","0.17","","","","","","1.02","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223183","20.0621","0.0018","15.593","0.0014","17.2349","0.0015","90","","90","","90","","5391.6","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 N7 O8.5 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.06","0.0441","","","0.1076","0.1143","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223199","14.916","0.007","14.964","0.007","15.309","0.007","64.365","0.008","89.997","0.008","62.904","0.009","2659","2","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pr_GCl","6-Chloro-9-propyl-purin-2-amine","","- C8 H10 Cl N5 -","- C8 H10 Cl N5 -","- C64 H80 Cl8 N40 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.1766","0.0989","","","0.2552","0.3053","","","","","","0.865","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223200","15.078","0.003","15.132","0.003","21.864","0.004","81.61","0.03","80.08","0.03","89.95","0.03","4859.8","1.7","296","2","296","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pt_GCl","6-Chloro-9-penyl-purin-2-amine","","- C20 H28 Cl2 N10 -","- C20 H28 Cl2 N10 -","- C160 H224 Cl16 N80 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.2303","0.1411","","","0.3251","0.3679","","","","","","0.992","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223201","15.022","0.003","44.14","0.009","15.211","0.003","90","","90","","90","","10086","3","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","C c c a :2","-C 2a 2ac","68","xylene_pr_GCl","p-xylene with 6-Chloro-9-propyl-purin-2-amine","","- C24 H30 Cl2 N10 -","- C24 H30 Cl2 N10 -","- C384 H480 Cl32 N160 -","16","1","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71","synchrotron","","0.3296","0.2602","","","0.5974","0.6304","","","","","","2.24","","","","has coordinates,has disorder","208235","2020-10-21","18:00:00",""
"7223202","14.6261","0.0006","23.2526","0.0009","15.7357","0.0007","90","","107.099","0.002","90","","5115.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd-TCA-DMF","","","- C88 H72 Cd5 N6 O28 -","- C88 H72 Cd5 N6 O28 -","- C176 H144 Cd10 N12 O56 -","2","0.5","","Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo","Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry","Green Chem.","2016","18","4","951","","10.1039/C5GC02393A","","","0.71073","MoKα","","0.0598","0.0487","","","0.1587","0.1717","","","","","","1.074","","","","has coordinates","177879","2020-10-21","18:00:00",""
"7223203","14.5196","0.0009","23.367","0.0014","15.6042","0.0009","90","","107.475","0.001","90","","5049.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd-TCA-DEF","","","- C96 H82 Cd5 N8 O28 -","- C96 H82 Cd5 N8 O28 -","- C192 H164 Cd10 N16 O56 -","2","0.5","","Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo","Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry","Green Chem.","2016","18","4","951","","10.1039/C5GC02393A","","","0.71073","MoKα","","0.0587","0.0455","","","0.1473","0.1603","","","","","","1.083","","","","has coordinates","177879","2020-10-21","18:00:00",""
"7223204","14.3997","0.0019","23.362","0.003","15.543","0.003","90","","106.309","0.009","90","","5018.4","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuCd-TCA-DMF","","","- C88 H72 Cd3 Cu2 N6 O27 -","- C88 H64 Cd3 Cu2 N6 O27 -","- C176 H128 Cd6 Cu4 N12 O54 -","2","0.5","","Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo","Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry","Green Chem.","2016","18","4","951","","10.1039/C5GC02393A","","","0.71073","MoKα","","0.2185","0.1079","","","0.2595","0.2908","","","","","","1.318","","","","has coordinates","177879","2020-10-21","18:00:00",""
"7223205","14.583","0.0013","23.241","0.002","15.6338","0.0014","90","","106.99","0.002","90","","5067.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-CH3OH","","- C90 H76 Cd5 N6 O28 -","- C90 H76 Cd5 N6 O28 -","- C180 H152 Cd10 N12 O56 -","2","0.5","","Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo","Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry","Green Chem.","2016","18","4","951","","10.1039/C5GC02393A","","","0.71073","MoKα","","0.0801","0.0563","","","0.1619","0.1818","","","","","","1.071","","","","has coordinates","177879","2020-10-21","18:00:00",""
"7223238","27.631","0.0019","29.08","0.003","13.136","0.001","90","","90","","90","","10554.9","1.5","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C208 H120 Gd8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.0866","0.0646","","","0.1841","0.1959","","","","","","0.966","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223239","27.108","0.004","29.418","0.003","12.9723","0.0018","90","","90","","90","","10345","2","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C208 H120 N16 Na8 O84 Sm8 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1598","0.0736","","","0.1671","0.1791","","","","","","1.009","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223240","27.1337","0.0011","29.2422","0.0014","13.0757","0.0007","90","","90","","90","","10374.9","0.9","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C208 H116 Dy8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.06","0.0523","","","0.1465","0.1497","","","","","","1.124","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223241","27.4347","0.0011","28.9058","0.0012","13.1157","0.0007","90","","90","","90","","10401","0.8","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C208 H136 Eu8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1227","0.1036","","","0.2823","0.2903","","","","","","1.098","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223242","18.568","0.007","18.0282","0.0019","9.4188","0.0014","90","","90.35","0.03","90","","3152.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2MgTh3(MoO4)8","","- K2 Mg Mo8 O32 Th3 -","- K2 Mg Mo8 O32 Th3 -","- K8 Mg4 Mo32 O128 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0222","0.02","","","0.0426","0.0434","","","","","","1.059","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223243","8.0197","0.001","8.447","0.0017","16.03","0.002","101.55","0.015","102.893","0.012","97.388","0.013","1019.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","K2SrTh2(MoO4)6","","- K2 Mo6 O24 Sr Th2 -","- K2 Mo6 O24 Sr Th2 -","- K4 Mo12 O48 Sr2 Th4 -","2","1","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0893","0.0526","","","0.1129","0.13","","","","","","1.027","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223244","17.556","0.003","17.556","0.003","6.2713","0.001","90","","90","","120","","1673.9","0.5","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Mo18 Nd4 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","1","0.0833333","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0914","0.0414","","","0.1117","0.1435","","","","","","1.14","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223245","18.6792","0.0004","18.0812","0.0005","9.4616","0.0003","90","","90.23","0.002","90","","3195.56","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rb2MgTh3(MoO4)8","","- Mg Mo8 O32 Rb2 Th3 -","- Mg Mo8 O32 Rb2 Th3 -","- Mg4 Mo32 O128 Rb8 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0482","0.0342","","","0.0559","0.0611","","","","","","0.996","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223246","13.3916","0.0002","12.6857","0.0002","23.5448","0.0004","90","","90","","90","","3999.83","0.11","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cd N3 O6 -","- C20 H19 Cd N3 O6 -","- C160 H152 Cd8 N24 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0316","0.0225","","","0.0523","0.057","","","","","","1.037","","","","has coordinates","185172","2020-10-21","18:00:00",""
"7223247","22.4577","0.0011","11.3406","0.0005","12.0773","0.0005","90","","113.556","0.003","90","","2819.6","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cd N2 O6 -","- C13 H10 Cd N2 O6 -","- C104 H80 Cd8 N16 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0266","0.0242","","","0.0613","0.0627","","","","","","1.077","","","","has coordinates,has disorder","185172","2020-10-21","18:00:00",""
"7223248","19.13","0.03","26.34","0.04","11.628","0.017","90","","90.671","0.018","90","","5859","15","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N4 O8 Zn -","- C26 H16 N4 O8 Zn -","- C104 H64 N16 O32 Zn4 -","4","1","","Gong, Le Le; Feng, Xue Feng; Luo, Feng; Yi, Xian Feng; Zheng, An Min","Removal and safe reuse of highly toxic allyl alcohol using a highly selective photo-sensitive metal‒organic framework","Green Chem.","2016","18","7","2047","","10.1039/C5GC02182K","","","0.71073","MoKα","","0.1668","0.1219","","","0.3075","0.3337","","","","","","1.021","","","","has coordinates","181748","2020-10-21","18:00:00",""
"7223249","8.8542","0.0003","12.9976","0.0004","14.0901","0.0005","100.076","0.001","90.969","0.001","92.406","0.001","1594.63","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1, 3-Bis(2-diphenylphosphino-3-methylimidazolyl)benzene","","- C36 H28 N4 P2 -","- C36 H28 N4 P2 -","- C72 H56 N8 P4 -","2","1","","Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation–acetalization of olefins","Green Chem.","2016","18","6","1798","","10.1039/C5GC02127H","","","0.71073","MoKα","","0.0629","0.0478","","","0.1334","0.1432","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223250","14.0858","0.0011","14.4866","0.0011","15.7112","0.0012","67.615","0.002","78.55","0.002","62.44","0.002","2627","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","1,3-Bis(1-methyl-2-diphenylphosphino-3-methylimidazolium)benzene triflate","","- C40 H34 F6 N4 O6 P2 S2 -","- C40 H34 F6 N4 O6 P2 S2 -","- C80 H68 F12 N8 O12 P4 S4 -","2","1","","Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation–acetalization of olefins","Green Chem.","2016","18","6","1798","","10.1039/C5GC02127H","","","0.71073","MoKα","","0.0763","0.0615","","","0.1803","0.1903","","","","","","1.109","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223251","9.5438","0.0007","39.836","0.003","10.6814","0.0011","90","","116.464","0.003","90","","3635.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 Cl2 I N4 P2 -","- C38 H33 Cl2 I N4 P2 -","- C152 H132 Cl8 I4 N16 P8 -","4","1","","Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye","Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation–acetalization of olefins","Green Chem.","2016","18","6","1798","","10.1039/C5GC02127H","","","0.71073","MoKα","","0.1053","0.0564","","","0.1048","0.1233","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223263","37.526","0.008","8.8468","0.0018","29.72","0.006","90","","127.61","0.03","90","","7816","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H110 N12 Ni2 O29 -","- C53 H104 N12 Ni2 O29 -","- C212 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0736","0.0668","","","0.1905","0.1966","","","","","","1.158","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223264","37.153","0.003","8.9381","0.0008","29.414","0.003","90","","127.964","0.002","90","","7700.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H110 N12 Ni2 O29 -","- C57 H104 N12 Ni2 O29 -","- C228 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1148","0.0674","","","0.1753","0.2088","","","","","","0.998","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223265","37.352","0.004","8.834","0.001","29.562","0.003","90","","126.838","0.002","90","","7806.9","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H120 N12 Ni2 O30 -","- C61 H112 N12 Ni2 O30 -","- C244 H448 N48 Ni8 O120 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1384","0.0619","","","0.1278","0.161","","","","","","0.976","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223266","11.579","0.002","25.062","0.005","31.421","0.006","90","","90","","90","","9118","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C69 H124 N16 Ni2 O26 -","- C57 H76 N12 Ni2 O12 -","- C228 H304 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0757","0.0704","","","0.1926","0.1963","","","","","","1.164","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223267","11.7659","0.0007","25.7333","0.0015","31.1417","0.0019","90","","90","","90","","9428.9","1","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C71 H126 N16 Ni2 O25 -","- C59 H80 N12 Ni2 O12 -","- C236 H320 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1565","0.0655","","","0.1803","0.197","","","","","","1.039","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223268","11.817","0.002","24.76","0.005","32.256","0.007","90","","90","","90","","9438","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C61 H124 N12 Ni2 O32 -","- C61 H84 N12 Ni2 O12 -","- C244 H336 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1482","0.1202","","","0.3256","0.3528","","","","","","0.962","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223269","12.0122","0.0008","25.023","0.0018","31.873","0.003","90","","90","","90","","9580.4","1.3","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C63 H124 N12 Ni2 O30 -","- C63 H88 N12 Ni2 O12 -","- C252 H352 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.129","0.0794","","","0.2384","0.2592","","","","","","0.997","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223270","18.7966","0.0007","18.7966","0.0007","21.2715","0.0018","90","","90","","90","","7515.5","0.7","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C65 H108 N12 Ni2 O16 -","- C65 H108 N12 Ni2 O16 -","- C260 H432 N48 Ni8 O64 -","4","","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0929","0.0502","","","0.1192","0.1401","","","","","","1.01","","","","has coordinates,has disorder","185168","2020-10-21","18:00:00",""
"7223280","5.4223","0.0003","7.6977","0.0004","25.4353","0.0014","90","","92.75","0.002","90","","1060.43","0.1","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0607","0.0474","","","0.1273","0.137","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223281","9.914","0.004","21.812","0.009","4.923","0.002","90","","90","","90","","1064.6","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0496","0.0366","","","0.0749","0.0814","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223282","5.4385","0.0001","7.5939","0.0002","12.8178","0.0003","106.251","0.001","100.337","0.001","90.203","0.001","499.16","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0383","0.0365","","","0.0969","0.0987","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223283","5.13","0.0003","8.8893","0.0005","11.6782","0.0007","101.426","0.003","97.174","0.003","90.881","0.003","517.47","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,5-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0368","0.0346","","","0.0952","0.0976","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223284","5.0295","0.0002","8.838","0.0004","24.4547","0.0009","90","","90","","90","","1087.03","0.08","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0489","0.0455","","","0.1285","0.1311","","","","","","1.089","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223285","9.456","0.003","4.7786","0.0016","24.253","0.008","90","","95.145","0.004","90","","1091.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,3-difluorophenyl)-2,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0345","0.0318","","","0.0816","0.0838","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223286","4.9918","0.0002","9.361","0.0005","12.0172","0.0006","102.372","0.002","97.44","0.002","90.222","0.002","543.59","0.05","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","N-(2,3-difluorophenyl)-3,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C26 H14 F8 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0516","0.041","","","0.1049","0.1133","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223287","4.6457","0.0005","5.0544","0.0005","11.8597","0.0013","100.967","0.004","92.076","0.004","92.987","0.004","272.72","0.05","105","2","105","2","","","","","","","","5","P 1","P 1","1","","N-(2,3-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C13 H7 F4 N O -","1","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0288","0.0277","","","0.0746","0.0756","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223288","5.535","0.007","5.035","0.006","19.29","0.02","90","","92.048","0.016","90","","537.2","1.1","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N-(2,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0954","0.0808","","","0.231","0.2561","","","","","","1.098","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223289","8.8818","0.0007","4.9233","0.0003","24.9499","0.0018","90","","94.162","0.002","90","","1088.13","0.13","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.063","0.0476","","","0.1275","0.1375","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223290","24.3084","0.001","5.0243","0.0002","8.4598","0.0004","90","","90","","90","","1033.22","0.08","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(2,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0263","0.0256","","","0.0615","0.062","","","","","","1.111","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223291","5.4838","0.0002","7.7928","0.0004","12.6887","0.0006","106.682","0.002","98.87","0.001","90.157","0.002","512.57","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-(3,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0491","0.0436","","","0.1207","0.1255","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223292","5.1818","0.0016","8.312","0.003","25.739","0.01","90","","93.172","0.011","90","","1106.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0511","0.0411","","","0.1055","0.112","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223293","4.9514","0.0004","8.6873","0.0008","25.517","0.002","90","","91.829","0.003","90","","1097.04","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.1032","0.0583","","","0.1332","0.153","","","","","","1.057","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223294","10.179","0.01","5.15","0.005","20.053","0.02","90","","103.924","0.012","90","","1020.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0386","0.0352","","","0.0917","0.094","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223305","13.836","0.002","13.836","0.002","19.957","0.003","90","","90","","90","","3820.5","1","170","2","170.15","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C64 H76 N28 O20 Zn4 -","- C64 H76 N28 O20 Zn4 -","- C128 H152 N56 O40 Zn8 -","2","","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0524","0.0427","","","0.1123","0.1207","","","","","","1.182","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223306","13.7479","0.0007","13.6207","0.0007","44.742","0.002","90","","98.226","0.002","90","","8292","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Cl4 N24 O22 Zn4 -","- C60 H56 Cl4 N24 O20 Zn4 -","- C240 H224 Cl16 N96 O80 Zn16 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1466","0.0716","","","0.1507","0.1675","","","","","","1.039","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223307","13.39","0.0017","29.716","0.004","21.716","0.003","90","","102.996","0.002","90","","8419.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N30 O10 S4 Zn5 -","- C64 H60 N30 O10 S4 Zn5 -","- C256 H240 N120 O40 S16 Zn20 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0622","0.0447","","","0.1103","0.1168","","","","","","1.053","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223308","11.452","0.0003","12.106","0.0004","13.138","0.0004","115.338","0.003","99.128","0.002","104.707","0.001","1516.01","0.1","292","2","292","2","","","","","","","","6","P -1","-P 1","2","1024G","1024G","","- C21 H26 N10 O3 S4 Zn -","- C21 H26 N10 O3 S4 Zn -","- C42 H52 N20 O6 S8 Zn2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1107","0.042","","","0.0945","0.114","","","","","","0.903","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223309","13.9941","0.0009","13.9941","0.0009","35.739","0.003","90","","90","","90","","6998.9","0.9","180","2","180","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H60 N30 Na O16 Zn4 -","- C60 H56 N30 O16 Zn4 -","- C240 H224 N120 O64 Zn16 -","4","0.25","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0723","0.0483","","","0.1263","0.1356","","","","","","0.997","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223319","5.5193","0.00013","8.7116","0.0002","23.1468","0.0006","84.894","0.002","88.701","0.002","72.509","0.002","1057.26","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H68 N2 S2 -","- C46 H68 N2 S2 -","- C46 H68 N2 S2 -","1","0.5","","Chen, Jianhua; Xiao, Manjun; Duan, Linrui; Wang, Qiong; Tan, Hua; Su, Ning; Liu, Yu; Yang, Renqiang; Zhu, Weiguo","Benzodi(pyridothiophene): a novel acceptor unit for application in A1-A-A1 type photovoltaic small molecules.","Physical chemistry chemical physics : PCCP","2016","18","3","1507","1515","10.1039/c5cp05474e","","","0.7107","MoKα","","0.0702","0.0606","","","0.1855","0.1941","","","","","","1.089","","","","has coordinates","176204","2020-10-21","18:00:00",""
"7223326","14.442","0.005","22.524","0.005","21.414","0.005","90","","129.598","0.014","90","","5367","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Ag4 Mo12 N14 Na O40 P -","- C18 H10 Ag4 Mo12 N14 Na O40 P -","- C72 H40 Ag16 Mo48 N56 Na4 O160 P4 -","4","1","","Sha, Jing-Quan; Sun, Long-Jiang; Zhu, Pei-Pei; Jiang, Jianzhuang","The first two-fold interpenetrating polyoxometalate-based coordination polymer with helical channels: structure and catalytic activities","CrystEngComm","2016","18","2","283","","10.1039/C5CE02021B","","","0.71069","MoKα","","0.0717","0.0557","","","0.134","0.1444","","","","","","1.063","","","","has coordinates","175940","2020-10-21","18:00:00",""
"7223327","11.543","0.002","11.603","0.002","12.615","0.002","69.352","0.01","63.37","0.01","78.518","0.012","1411.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H52 Cu2 N6 O14 P2 -","- C54 H52 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0852","0.0573","","","0.1574","0.1685","","","","","","1.014","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223328","11.129","0.003","14.638","0.004","16.334","0.004","90","","90.251","0.01","90","","2660.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu2 N6 O14 P2 -","- C56 H56 Cu2 N6 O14 P2 -","- C112 H112 Cu4 N12 O28 P4 -","2","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal–amorphous–crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0718","0.0398","","","0.0835","0.0952","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223329","11.461","0.003","12.537","0.003","14.271","0.003","111.461","0.011","111.204","0.012","92.332","0.013","1743.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cu N5 O8 P -","- C37 H34 Cu N5 O8 P -","- C74 H68 Cu2 N10 O16 P2 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0726","0.0426","","","0.0975","0.11","","","","","","1.054","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223330","7.2609","0.0007","9.9595","0.001","15.0827","0.0015","73.778","0.005","87.9","0.005","89.707","0.005","1046.56","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cu N6 O7 -","- C20 H16 Cu N6 O7 -","- C40 H32 Cu2 N12 O14 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0498","0.0418","","","0.1297","0.1396","","","","","","0.983","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223331","31.662","0.016","8.649","0.004","11.434","0.006","90","","102.53","0.05","90","","3057","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.1302","0.0608","","","0.1529","0.175","","","","","","1.008","","","","has coordinates","175978","2020-10-21","18:00:00",""
"7223332","11.3974","0.0012","11.5337","0.0012","12.5848","0.0013","117.067","0.004","101.07","0.004","101.147","0.004","1369.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H48 Cu2 N6 O14 P2 -","- C54 H48 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0654","0.0564","","","0.1566","0.161","","","","","","1.147","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223333","5.8102","0.0003","23.9645","0.0013","10.9985","0.0005","90","","98.602","0.005","90","","1514.19","0.13","97.3","","97.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F2 N O3 -","- C19 H12 F2 N O3 -","- C76 H48 F8 N4 O12 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0567","0.0444","","","0.0958","0.1032","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223334","4.6752","0.0006","16.257","0.003","19.332","0.005","90","","92.278","0.019","90","","1468.2","0.5","99.3","","99.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 N2 O6 -","- C36 H24 Cl2 N2 O6 -","- C72 H48 Cl4 N4 O12 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0803","0.0533","","","0.098","0.1088","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223335","5.7528","0.0005","22.874","0.008","11.463","0.006","90","","97.874","0.019","90","","1494.2","1","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Br2 F4 N2 O2 -","- C36 H22 Br2 F4 N2 O2 -","- C72 H44 Br4 F8 N4 O4 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0561","0.0425","","","0.0886","0.0941","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223336","21.3375","0.0018","5.7007","0.0009","23.102","0.003","90","","90","","90","","2810.1","0.6","99.7","","99.7","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.1431","0.0809","","","0.1046","0.1309","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223337","7.8092","0.0007","12.7602","0.0016","19.323","0.002","97.533","0.01","92.737","0.009","107.448","0.009","1813.3","0.4","99.7","","99.7","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H11 Br4 F16 N O -","- C39 H11 Br4 F16 N O -","- C78 H22 Br8 F32 N2 O2 -","2","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0743","0.0521","","","0.0915","0.0992","","","","","","1.093","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223338","12.2337","0.0011","9.5487","0.0008","13.0666","0.0013","90","","90","","90","","1526.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Ag N2 -","- C8 H7 Ag N2 -","- C64 H56 Ag8 N16 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.041","0.0334","","","0.0569","0.0597","","","","","","1.194","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223339","20.633","0.004","20.797","0.004","16.615","0.003","90","","91.842","0.004","90","","7126","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Ag4 N8 -","- C36 H36 Ag4 N8 -","- C288 H288 Ag32 N64 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.027","0.0231","","","0.0781","0.0829","","","","","","0.664","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223344","7.65","0.009","7.943","0.008","18.15","0.02","90","","92.26","0.02","90","","1102","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C40 H44 Cl4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.102","0.0414","","","0.0671","0.0787","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223345","7.9402","0.0007","8.1717","0.0008","8.8975","0.0008","70.343","0.006","89.333","0.006","72.343","0.006","515.42","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C20 H18 N6 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0371","0.0324","","","0.1109","0.1193","","","","","","0.87","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223346","4.9838","0.0002","9.8417","0.0004","10.3031","0.0005","100.059","0.003","100.517","0.003","91.372","0.003","488.42","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N2 O3 -","- C11 H9 N2 O3 -","- C22 H18 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0459","0.0391","","","0.1255","0.1339","","","","","","1.039","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223347","5.3961","0.0007","9.4163","0.0013","13.6395","0.0017","75.67","0.009","89.392","0.009","80.448","0.008","661.83","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0733","0.0488","","","0.1315","0.1469","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223348","12.7021","0.0005","5.0401","0.0002","19.1216","0.0008","90","","98.951","0.003","90","","1209.25","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N2 O3 -","- C13 H13 N2 O3 -","- C52 H52 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0678","0.0447","","","0.1249","0.1415","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223349","12.7915","0.0005","5.0009","0.0002","16.4829","0.0007","90","","90.926","0.003","90","","1054.26","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N2 O3 -","- C12 H11 N2 O3 -","- C48 H44 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0654","0.0436","","","0.126","0.1408","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223350","12.6838","0.0012","5.0451","0.0005","16.3375","0.0016","90","","90.201","0.007","90","","1045.45","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0618","0.0427","","","0.1191","0.1314","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223351","7.8758","0.0007","9.1877","0.001","11.3427","0.0008","112.883","0.008","91.057","0.007","105.877","0.009","720.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Co N O8 -","- C11 H17 Co N O8 -","- C22 H34 Co2 N2 O16 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.0672","0.0446","","","0.0849","0.0954","","","","","","0.992","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223352","19.228","0.005","7.24","0.004","8.874","0.004","90","","90","","90","","1235.4","0.9","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C11 H11 Co N O5 -","- C11 H4 Co N O5 -","- C44 H16 Co4 N4 O20 -","4","0.25","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.2033","0.1264","","","0.2807","0.33","","","","","","0.991","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223353","27.3644","0.0003","13.4467","0.0001","28.0955","0.0003","90","","94.042","0.001","90","","10312.3","0.18","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 F3 I3 N6 O2 S2 -","- C50 H54 F3 I3 N6 O2 S2 -","- C400 H432 F24 I24 N48 O16 S16 -","8","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.5418","CuKα","","0.0468","0.0412","","","0.1046","0.1108","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223354","10.4878","0.001","12.3896","0.0011","12.7932","0.0012","78.982","0.008","82.201","0.008","81.597","0.008","1604.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F3 I3 N3 O2 -","- C29 H29 F3 I3 N3 O2 -","- C58 H58 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.1489","0.141","","","0.3318","0.3535","","","","","","1.277","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223355","9.5328","0.0003","11.9482","0.0003","13.9164","0.0003","82.274","0.002","85.796","0.002","87.527","0.002","1565.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 I3 N3 O2 -","- C28 H27 F3 I3 N3 O2 -","- C56 H54 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0593","0.056","","","0.158","0.164","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223356","9.5563","0.0003","11.4823","0.0003","14.152","0.0004","99.118","0.002","92.177","0.002","92.289","0.002","1530.48","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F3 I3 N3 O2 -","- C27 H25 F3 I3 N3 O2 -","- C54 H50 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0374","0.0347","","","0.0879","0.0913","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223357","10.0662","0.0002","14.4987","0.0003","20.6364","0.0005","82.22","0.002","81.567","0.002","89.177","0.002","2951.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F3 I3 N3 O2 -","- C26 H23 F3 I3 N3 O2 -","- C104 H92 F12 I12 N12 O8 -","4","2","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0684","0.0577","","","0.1536","0.1694","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223358","9.0898","0.0005","12.7927","0.0008","13.8531","0.0007","114.273","0.006","98.513","0.005","100.445","0.005","1398.93","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 I3 N3 O2 -","- C25 H21 F3 I3 N3 O2 -","- C50 H42 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.094","0.0822","","","0.224","0.2568","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223359","13.1874","0.0008","11.9065","0.0008","19.8014","0.0013","90","","100.142","0.002","90","","3060.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl2 Cu2 N12 O8 -","- C24 H22 Cl2 Cu2 N12 O8 -","- C96 H88 Cl8 Cu8 N48 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0474","0.0359","","","0.0889","0.0964","","","","","","1.035","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223360","12.6355","0.0004","41.3258","0.0013","20.8981","0.0007","90","","90","","90","","10912.4","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H82 Cl6 Cu6 N24 O32 -","- C90 H70 Cl5 Cu6 N24 O22 -","- C360 H280 Cl20 Cu24 N96 O88 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0808","0.0503","","","0.1401","0.1658","","","","","","1.077","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223361","8.497","0.002","25.544","0.007","18.675","0.005","90","","90","","90","","4053.4","1.8","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H37 Cl2 Cu2 N9 O10 -","- C36 H37 Cl2 Cu2 N9 O10 -","- C144 H148 Cl8 Cu8 N36 O40 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0874","0.0632","","","0.1933","0.2132","","","","","","1.098","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223362","13.841","0.0013","8.0261","0.0008","39.946","0.003","90","","96.565","0.004","90","","4408.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cl2 Cu2 N10 O8 -","- C42 H44 Cl2 Cu2 N10 O8 -","- C168 H176 Cl8 Cu8 N40 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.1523","0.0825","","","0.2243","0.2595","","","","","","1.122","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223369","13.029","0.003","9.107","0.002","13.565","0.003","90","","116.569","0.004","90","","1439.6","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O11 -","- C30 H30 N2 O11 -","- C60 H60 N4 O22 -","2","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0549","0.0459","","","0.1026","0.1109","","","","","","1.142","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223370","13.604","0.002","9.974","0.002","13.84","0.003","90","","119.099","0.004","90","","1640.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H38 N2 O11 -","- C33 H38 N2 O11 -","- C66 H76 N4 O22 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0394","0.0369","","","0.0972","0.1004","","","","","","1.029","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223371","13.524","0.002","9.9285","0.0016","13.891","0.003","90","","118.817","0.0019","90","","1634.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H36 N2 O12 -","- C32 H36 N2 O12 -","- C64 H72 N4 O24 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0286","0.028","","","0.0777","0.0784","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223372","16.286","0.007","22.708","0.009","7.95","0.003","90","","115.707","0.005","90","","2649.1","1.8","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28.5 H30 N O8.5 -","- C28.5 H25 N O8.5 -","- C114 H100 N4 O34 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0843","0.0667","","","0.1704","0.1885","","","","","","1.038","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223373","7.7919","0.0013","21.208","0.004","24.416","0.004","90","","90","","90","","4034.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N2 O12 -","- C40 H39 N2 O12 -","- C160 H156 N8 O48 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1291","0.0853","","","0.2202","0.2477","","","","","","1.033","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223374","28.639","0.005","28.639","0.005","7.8757","0.0015","90","","90","","90","","6460","2","200","2","200","2","","","","","","","","4","I 41","I 4bw","80","","","","- C33 H32 N2 O8 -","- C33 H32 N2 O8 -","- C264 H256 N16 O64 -","8","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1124","0.0547","","","0.1313","0.1503","","","","","","0.91","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223375","7.7836","0.0008","22.234","0.002","24.89","0.003","90","","90","","90","","4307.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O11 -","- C42 H42 N2 O11 -","- C168 H168 N8 O44 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0954","0.0719","","","0.1966","0.2087","","","","","","1.028","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223396","6.4499","0.0003","19.1637","0.0008","8.0685","0.0003","90","","96.557","0.002","90","","990.77","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Magnesiumcarboxylate","","","- C6 H7 Mg1.5 O7 S -","- C6 H7 Mg1.5 O7 S -","- C24 H28 Mg6 O28 S4 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0564","0.0392","","","0.1014","0.1207","","","","","","1.166","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223397","9.6615","0.0003","10.49","0.0003","11.9404","0.0003","110.295","0.001","91.875","0.001","114.86","0.001","1006.93","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Magnesiumcarboxylate","","","- C14 H4 Mg1.5 N O8 S2 -","- C14 H4 Mg1.5 N O8 S2 -","- C28 H8 Mg3 N2 O16 S4 -","2","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0633","0.0522","","","0.1735","0.1859","","","","","","1.122","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223398","34.681","0.003","15.3678","0.0013","13.7141","0.001","90","","112.169","0.004","90","","6768.9","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zinccarboxylate","","","- C27 H16 N3 O8.5 S2 Zn2 -","- C27 H16 N3 O8.5 S2 Zn2 -","- C216 H128 N24 O68 S16 Zn16 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.074","0.0518","","","0.1851","0.2113","","","","","","1.087","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223399","10.0483","0.0002","13.4969","0.0003","16.7346","0.0004","90","","93.683","0.001","90","","2264.87","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Magnesiumcarboxylate","","","- C18 H18 Mg2 N2 O10 S2 -","- C18 H18 Mg2 N2 O10 S2 -","- C72 H72 Mg8 N8 O40 S8 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0803","0.0511","","","0.1339","0.1471","","","","","","1.039","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223400","13.5642","0.0013","13.5642","0.0013","15.6425","0.0012","90","","90","","90","","2878","0.4","298","2","298","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","Indiumcarboxylate","","","- C7 H2 In0.5 N0.5 O4 S -","- C7 H2 In0.5 N0.5 O4 S -","- C56 H16 In4 N4 O32 S8 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.053","0.0364","","","0.0959","0.1043","","","","","","1.071","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223403","13.6976","0.0007","16.1004","0.0008","14.1055","0.0007","90","","92.642","0.002","90","","3107.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H72 Br12 N6 S4 Zn -","- C39 H72 Br12 N6 S4 Zn -","- C78 H144 Br24 N12 S8 Zn2 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Vinakos, Michael K.","From single-point to three-point halogen bonding between zinc(ii) tetrathiocyanate and tetrabromomethane","CrystEngComm","2016","18","3","488","","10.1039/C5CE02125A","","","0.71073","MoKα","","0.069","0.0395","","","0.0816","0.0851","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223404","12.3714","0.0003","13.3655","0.0002","37.5272","0.0006","90","","90","","90","","6205.1","0.2","100","2","100","2","","","","","","","","7","P n n n","-P 2ab 2bc","48","","","","- C114 H124 Gd2 N2 O47 P2 S8 -","- C114 H124 Gd2 N2 O47 P2 S8 -","- C228 H248 Gd4 N4 O94 P4 S16 -","2","","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.1218","0.1027","","","0.2818","0.2968","","","","","","1.042","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223405","17.4699","0.0008","18.0265","0.0007","23.3461","0.0009","102.788","0.003","96.123","0.003","118.576","0.004","6099.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C167 H195 N2 O60 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.2438","0.1719","","","0.4089","0.4396","","","","","","1.019","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223406","10.4708","0.0006","10.5478","0.0006","11.0342","0.0006","72.783","0.005","75.786","0.005","70.243","0.005","1081.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 I O P -","- C25 H22 I O P -","- C50 H44 I2 O2 P2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.0458","0.0407","","","0.0978","0.1015","","","","","","1","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223407","11.178","0.011","10.166","0.01","12.216","0.012","90","","90","","90","","1388","2","358","2","358","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0339","0.0302","","","0.0758","0.0789","","","","","","1.02","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223408","10.0525","0.0019","12.081","0.002","11.042","0.002","90","","91.329","0.003","90","","1340.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0209","0.0199","","","0.049","0.0495","","","","","","1.033","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223409","11.19","0.006","10.204","0.006","12.278","0.007","90","","90","","90","","1401.9","1.4","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0316","0.0276","","","0.0646","0.0669","","","","","","1.012","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223410","10.0664","0.0017","12.075","0.002","11.0158","0.0019","90","","91.262","0.002","90","","1338.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0409","0.0404","","","0.149","0.1494","","","","","","1.059","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223426","7.0513","0.0003","7.6501","0.0002","15.5178","0.0007","90","","101.367","0.001","90","","820.66","0.06","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O Si -","- C16 H21 Br O Si -","- C32 H42 Br2 O2 Si2 -","2","1","","Beckmann, Peter A.; Moore, Curtis E.; Rheingold, Arnold L.","Methyl and t-butyl group rotation in a molecular solid: (1)H NMR spin-lattice relaxation and X-ray diffraction.","Physical chemistry chemical physics : PCCP","2016","18","3","1720","1726","10.1039/c5cp04994f","","x-ray","0.71073","MoKα","","0.0206","0.0186","","","0.0424","0.043","","","","","","0.874","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223436","15.4414","0.0015","10.9156","0.0011","14.596","0.0014","90","","90","","90","","2460.2","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H32 Ni2 O18 -","- C18 H29 Ni2 O18 -","- C72 H116 Ni8 O72 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0399","0.0377","","","0.1051","0.1068","","","","","","1.085","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223437","20.775","0.003","27.566","0.003","10.846","0.0013","90","","90","","90","","6211.3","1.3","150","2","150","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C45 H54.75 O33.5 Zn6 -","- C45 H30 O33.433 Zn6 -","- C180 H120 O133.732 Zn24 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0618","0.0533","","","0.1378","0.1432","","","","","","1.042","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223438","17.382","0.004","10.4516","0.0015","15.97","0.003","90","","90","","90","","2901.3","1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H44 O28 Zn6 -","- C45 H32 O28 Zn6 -","- C90 H64 O56 Zn12 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.1102","0.0575","","","0.1285","0.1517","","","","","","1.073","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223439","4.5131","0.0008","14.483","0.003","12.622","0.003","90","","97.792","0.009","90","","817.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Mn O10 -","- C18 H14 Mn O10 -","- C36 H28 Mn2 O20 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.0593","0.0348","","","0.0737","0.0829","","","","","","1.032","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223440","9.1496","0.0012","9.7908","0.0012","16.078","0.002","89.207","0.002","76.087","0.002","74.643","0.002","1346.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","1","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0538","0.0453","","","0.1204","0.126","","","","","","1.041","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223441","9.0471","0.0006","17.5709","0.0011","12.943","0.0008","90","","109.25","0.001","90","","1942.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Harvey, Benjamin G.; Guenthner, Andrew J.; Koontz, Thomas A.; Storch, Perrin J.; Reams, Josiah T.; Groshens, Thomas J.","Sustainable hydrophobic thermosetting resins and polycarbonates from turpentine","Green Chem.","2016","18","8","2416","","10.1039/C5GC02893K","","","0.71073","","","0.0643","0.0495","","","0.1262","0.1367","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223442","9.0258","0.0009","11.0099","0.001","12.4506","0.0012","79.449","0.004","76.11","0.004","80.803","0.003","1172","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O3 S -","- C28 H24 N2 O3 S -","- C56 H48 N4 O6 S2 -","2","1","","Dandia, Anshu; Parewa, Vijay; Kumari, Sukhbeer; Bansal, Sarika; Sharma, Amit","Imposed hydrophobic interactions by NaCl: accountable attribute for the synthesis of spiro[acenaphthylene-1,5′-pyrrolo[1,2-c]thiazole] derivatives via 1,3-dipolar cycloaddition reaction in aqueous medium","Green Chem.","2016","18","8","2488","","10.1039/C5GC02816G","","","0.71073","MoKα","","0.0756","0.0496","","","0.14","0.1625","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223456","14.861","0.003","14.142","0.003","22.798","0.005","90","","106.37","0.03","90","","4597.1","1.8","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C48 H46 As8 N18 Ni5 O43 V14 -","- C48 H36 As8 N18 Ni5 O43 V14 -","- C96 H72 As16 N36 Ni10 O86 V28 -","2","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1144","0.074","","","0.1909","0.2334","","","","","","1.004","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223457","13.80109","0.00015","23.8678","0.0002","27.1204","0.0002","90","","90","","90","","8933.5","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H41 As8 N12 Ni2.5 O43 V14 -","- C46 H35 As8 N12 Ni2.5 O43 V14 -","- C184 H140 As32 N48 Ni10 O172 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0497","0.0445","","","0.1273","0.1323","","","","","","1.043","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223458","12.169","0.002","16.057","0.003","40.244","0.008","90","","90","","90","","7864","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 As8 N8 Ni2 O44 V14 -","- C42 H32 As8 N8 Ni2 O44 V14 -","- C168 H128 As32 N32 Ni8 O176 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1534","0.0875","","","0.1915","0.2262","","","","","","1.055","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223459","15.5647","0.001","15.5647","0.001","38.904","0.005","90","","90","","90","","9424.9","1.5","296","2","296","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C52 H58 As8 N16 Ni2 O49 V14 -","- C52 H44 As8 N16 Ni2 O49 V14 -","- C208 H176 As32 N64 Ni8 O196 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1694","0.0809","","","0.222","0.2892","","","","","","1.02","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223460","11.5263","0.0009","15.2606","0.0011","15.8895","0.0012","106.238","0.001","95.372","0.001","102.466","0.001","2584.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H58 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0801","0.0543","","","0.1548","0.1751","","","","","","1.073","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223461","12.541","0.002","12.565","0.002","14.238","0.003","83.592","0.002","79.184","0.003","81.137","0.002","2169.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H50 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1087","0.0967","","","0.2365","0.2426","","","","","","1.018","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223462","11.6254","0.0003","14.4554","0.0004","14.651","0.0004","99.363","0.002","97.293","0.002","91.069","0.002","2407.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1005","0.0714","","","0.2029","0.2307","","","","","","1.024","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223463","14.4313","0.0005","13.2244","0.0006","7.5812","0.0003","90","","93.883","0.003","90","","1443.51","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cu2.5 N7 -","- C13 H13 Cu2.5 N7 -","- C52 H52 Cu10 N28 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.0814","0.0364","","","0.0761","0.0915","","","","","","0.993","","","","has coordinates","175953","2020-10-21","18:00:00",""
"7223464","7.3329","0.0003","18.6223","0.0007","14.8934","0.0006","90","","101.642","0.002","90","","1991.94","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cu3 N10 O -","- C14 H17 Cu3 N10 O -","- C56 H68 Cu12 N40 O4 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.1072","0.0536","","","0.1247","0.1476","","","","","","1.005","","","","has coordinates,has disorder","175953","2020-10-21","18:00:00",""
"7223470","8.785","0.006","20.81","0.014","34.48","0.02","90","","90","","90","","6303","7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0449","0.0305","","0.0643","0.0594","0.0643","","","","","","0.9995","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223471","8.798","0.002","20.865","0.004","34.551","0.006","90","","90","","90","","6343","2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0805","0.0491","","0.1114","0.0959","0.1114","","","","","","0.9315","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223472","8.7007","0.0013","34.271","0.003","11.0753","0.0012","90","","111.047","0.009","90","","3082.1","0.7","293","","293","","","","170000","","","","","4","C 1 2/c 1","-C 2yc","15","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12.56 H6 O7.125 Sc -","- C12 H6 O6 Sc -","- C96 H48 O48 Sc8 -","8","1","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","x-ray","0.71073","MoKα","","0.1632","0.1213","","0.3286","0.2927","0.3286","","","","","","0.9725","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223487","15.1612","0.0016","15.1612","0.0016","58.187","0.009","90","","90","","120","","11583","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 Fe2 I7 N12 -","- C72 H48 Ag3 Fe2 I7 N12 -","- C432 H288 Ag18 Fe12 I42 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0403","0.0375","","","0.1486","0.1518","","","","","","1.068","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223488","15.1789","0.0004","15.1789","0.0004","58.192","0.004","90","","90","","120","","11611.1","0.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 I7 Mn2 N12 -","- C72 H48 Ag3 I7 Mn2 N12 -","- C432 H288 Ag18 I42 Mn12 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0483","0.0435","","","0.1445","0.1493","","","","","","1.055","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223489","14.7523","0.0014","14.7794","0.0014","27.291","0.003","76.78","0.001","86.843","0.001","60.318","0.001","5020.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Ag5 I7 Mn N6 -","- C36 H24 Ag5 I7 Mn N6 -","- C144 H96 Ag20 I28 Mn4 N24 -","4","2","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0883","0.052","","","0.1453","0.1623","","","","","","1.045","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223490","11.396","0.0014","18.948","0.002","23.015","0.003","100.441","0.001","94.951","0.001","100.227","0.001","4773.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 Ag14 I22 N8 -","- C48 H56 Ag14 I22 N8 -","- C96 H112 Ag28 I44 N16 -","2","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0627","0.0399","","","0.0915","0.1003","","","","","","1.023","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223491","17.2929","0.0007","17.2929","0.0007","19.8829","0.0012","90","","90","","90","","5945.9","0.5","180","0.2","180","0.2","","","","","","","","4","I 4/m","-I 4","87","CMF-1","","","- Cu6 Mo28 N2 O96 -","- Cu6 Mo28 N2 O96 -","- Cu12 Mo56 N4 O192 -","2","0.125","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0586","0.0402","","","0.1012","0.1081","","","","","","1.03","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223492","10.3503","0.0004","10.3933","0.0004","15.1733","0.0006","76.113","0.004","75.04","0.004","62.687","0.004","1387","0.11","180","0.1","180","1","","","","","","","","3","P -1","-P 1","2","CMF-2","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu2 Mo14 O48 -","2","1","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0478","0.0362","","","0.0821","0.0876","","","","","","1.011","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223493","10.4495","0.0007","19.2758","0.0009","13.2417","0.0008","90","","90","","90","","2667.2","0.3","180.01","0.13","180.01","0.13","","","","","","","","3","P n m a","-P 2ac 2n","62","CMF-3","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu4 Mo28 O96 -","4","0.5","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.71073","MoKα","","0.0719","0.0532","","","0.1259","0.1347","","","","","","1.049","","","","has coordinates,has disorder","175948","2020-10-21","18:00:00",""
"7223504","19.953","0.007","9.495","0.004","25.805","0.01","90","","91.915","0.012","90","","4886","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H79 N5 O28 Zn6 -","- C98 H79 N5 O28 Zn6 -","- C196 H158 N10 O56 Zn12 -","2","0.25","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.1493","0.0917","","","0.2528","0.2937","","","","","","1.047","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223505","16.7153","0.0008","8.4558","0.0004","35.4943","0.0017","90","","90","","90","","5016.8","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 N2 O7 Zn -","- C26 H26 N2 O7 Zn -","- C208 H208 N16 O56 Zn8 -","8","1","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.0713","0.0462","","","0.0985","0.1079","","","","","","1.073","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223506","13.4199","0.0005","19.4201","0.0007","20.7033","0.0015","88.22","0.006","85.02","0.006","84.859","0.006","5352.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0603","0.048","","","0.1253","0.1312","","","","","","1.112","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223507","18.0377","0.0013","18.3422","0.0013","29.9","0.002","71.347","0.002","71.67","0.002","67.774","0.002","8462.6","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H92 N4 Ni4 O22 -","- C78.5 H78 N4 Ni4 O18.5 -","- C314 H312 N16 Ni16 O74 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0845","0.0643","","","0.175","0.1896","","","","","","1.049","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223508","12.1956","0.00019","19.3817","0.0006","20.2019","0.0007","90","","98.464","0.002","90","","4723.1","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C184 H224 Cl4 Dy4 N8 Ni4 O60 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0451","0.0322","","","0.0687","0.0755","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223509","15.0768","0.0005","20.6499","0.0005","17.8256","0.0008","90","","103.01","0.004","90","","5407.3","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C212 H244 Cl4 Dy4 N20 Ni4 O56 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0491","0.0362","","","0.0816","0.0908","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223510","10.4776","0.0004","21.3408","0.0008","14.3681","0.0005","90","","106.977","0.004","90","","3072.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Dy2 N4 Ni2 O18 -","- C62 H58 Dy2 N4 Ni2 O18 -","- C124 H116 Dy4 N8 Ni4 O36 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","1.54184","CuKα","","0.0899","0.0666","","","0.1672","0.1837","","","","","","0.99","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223511","13.149","0.0009","13.62","0.001","15.4701","0.0011","68.869","0.005","65.65","0.004","63.614","0.004","2207.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0859","0.0745","","","0.1889","0.1971","","","","","","1.078","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223512","12.7821","0.0009","13.5743","0.001","14.1583","0.001","106.94","0.003","91.065","0.002","97.754","0.002","2324.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0469","0.0427","","","0.1152","0.1197","","","","","","1.047","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223513","16.5657","0.0012","17.6842","0.0012","18.4698","0.0013","81.572","0.002","80.148","0.002","83.02","0.002","5247.5","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H69 Dy3 N24 O60 -","- C81 H69 Dy3 N24 O60 -","- C162 H138 Dy6 N48 O120 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.036","0.0314","","","0.0764","0.0797","","","","","","1.05","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223514","14.1586","0.0006","17.259","0.0007","22.3936","0.0008","98.527","0.003","98.268","0.003","111.403","0.004","4920.7","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0618","0.0425","","","0.0968","0.1096","","","","","","1.053","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223515","6.9697","0.0004","12.6645","0.0007","15.0866","0.0008","76.153","0.005","89.966","0.005","88.423","0.005","1292.45","0.13","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl N2 O5 -","- C14 H11 Cl N2 O5 -","- C56 H44 Cl4 N8 O20 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","1.54184","CuKα","","0.0593","0.0493","","","0.1324","0.1451","","","","","","1.054","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223516","7.5662","0.0004","8.5456","0.0004","14.8304","0.0008","84.747","0.004","84.775","0.004","82.09","0.004","942.79","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.0719","0.0768","","","","","","1.049","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223517","18.8624","0.0005","17.03","0.0004","25.6461","0.0018","90","","108.353","0.008","90","","7819.2","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Co N5 O12 -","- C36 H44 Co N5 O12 -","- C288 H352 Co8 N40 O96 -","8","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.1216","0.0855","","","0.2181","0.2379","","","","","","1.054","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223518","13.059","0.0008","22.7258","0.0011","15.4472","0.0013","90","","109.616","0.008","90","","4318.3","0.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Br2 Co N3 O9 -","- C45 H52 Br2 Co N3 O9 -","- C180 H208 Br8 Co4 N12 O36 -","4","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.1023","0.059","","","0.1182","0.1402","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223519","22.1776","0.0015","18.894","0.0011","27.8333","0.0011","90","","100.127","0.004","90","","11481.1","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C482 H460 Cl20 Dy8 N16 Ni8 O80 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1828","0.1138","","","0.2803","0.3192","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223520","12.5403","0.0007","14.7915","0.001","18.88","0.002","100.291","0.008","106.198","0.007","105.143","0.005","3124.5","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0524","0.0437","","","0.107","0.1165","","","","","","1.083","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223521","20.462","0.0007","20.8069","0.0007","27.3553","0.0007","90","","98.444","0.003","90","","11520.3","0.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H114 Br6 Dy2 N4 Ni2 O26 -","- C108 H102 Br6 Dy2 N4 Ni2 O24 -","- C432 H408 Br24 Dy8 N16 Ni8 O96 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.0746","0.0501","","","0.131","0.1431","","","","","","1.018","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223522","38.159","0.003","38.159","0.003","18.7654","0.0013","90","","90","","120","","23664","3","100","","100","","","","","","","","","6","R -3","-R 3","148","","","","- C122 H130 Dy2 N4 Ni2 O24 -","- C118 H118 Dy2 N4 Ni2 O22 -","- C1062 H1062 Dy18 N36 Ni18 O198 -","9","","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0553","0.0408","","","0.1095","0.1157","","","","","","0.992","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223523","15.8855","0.0006","17.2105","0.0011","20.5903","0.0011","90","","96.747","0.004","90","","5590.3","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C204 H220 Cl4 Dy4 N20 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0708","0.0464","","","0.1115","0.122","","","","","","1.075","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223524","12.1724","0.0012","14.1352","0.0015","19.123","0.002","90","","99.425","0.011","90","","3245.9","0.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C128 H144 Cl4 Dy4 N8 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1319","0.065","","","0.0947","0.13","","","","","","0.872","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223525","16.6632","0.0004","18.8674","0.0003","15.7017","0.0003","90","","109.993","0.003","90","","4638.98","0.18","173","2","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C164 H200 Dy4 F12 N24 Ni4 O52 S4 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0501","0.0382","","","0.0885","0.0976","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223526","10.947","0.002","11.0433","0.0016","17.924","0.004","99.305","0.015","96.75","0.017","90.261","0.013","2122.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Co3 N6 O12 S3 -","- C42 H30 Co3 N6 O12 S3 -","- C84 H60 Co6 N12 O24 S6 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.3281","0.2028","","","0.4767","0.5315","","","","","","1.164","","","","has coordinates","175954","2020-10-21","18:00:00",""
"7223527","10.6132","0.0005","13.4256","0.0007","17.8366","0.0012","78.86","0.005","76.42","0.005","72.302","0.004","2333.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0796","0.0623","","","0.1531","0.1623","","","","","","1.068","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223528","10.5028","0.0002","13.3758","0.0003","17.9703","0.0003","78.0998","0.0015","75.4371","0.0016","71.7708","0.0018","2298.34","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0417","0.0361","","","0.0942","0.0976","","","","","","1.051","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223529","26.232","0.007","26.232","0.007","26.232","0.007","90","","90","","90","","18051","8","298","2","296","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C92 H168 Cu12 Mo N5 O130 Si W11 -","- C80 H48.0048 Cu12 Mo0.9996 N2 O106 Si W11.0004 -","- C320 H192.019 Cu48 Mo3.9984 N8 O424 Si4 W44.0016 -","4","0.0208333","","Li, Chong; Sun, Minghui; Xu, Lin; Wang, Yuchao; Huang, Jiawei","The first heteropoly blue-embedded metal‒organic framework: crystal structure, magnetic property and proton conductivity","CrystEngComm","2016","18","4","596","","10.1039/C5CE02074C","","","0.71073","MoKα","","0.0801","0.0635","","","0.2109","0.233","","","","","","1.09","","","","has coordinates,has disorder","175949","2020-10-21","18:00:00",""
"7223530","15.6323","0.0007","14.7468","0.0007","14.4198","0.0007","90","","90","","90","","3324.1","0.3","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C47 H39 N -","- C47 H39 N -","- C188 H156 N4 -","4","0.5","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","","0.71073","MoKα","","0.066","0.0576","","","0.1515","0.1614","","","","","","1.047","","","","has coordinates,has disorder","182803","2020-10-21","18:00:00",""
"7223531","8.51239","0.00019","12.4653","0.0002","14.2625","0.0002","91.3139","0.0014","93.6817","0.0015","101.235","0.0017","1480.35","0.05","99.9","0.3","99.9","0.3","","","","","","","","3","P -1","-P 1","2","","centrohexaindane","","- C42 H25 Cl3 -","- C42 H25 Cl3 -","- C84 H50 Cl6 -","2","1","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","x-ray","1.54184","CuKα","","0.0364","0.0353","","","0.0923","0.0933","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223532","8.42","0.0001","14.384","0.0002","24.107","0.0003","90","","91.53","0.0009","90","","2918.64","0.06","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C45 H29 -","- C45 H29 -","- C180 H116 -","4","1","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","","0.71073","MoKα","","0.0654","0.0484","","","0.1204","0.1301","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223540","9.1586","0.0007","9.5032","0.0007","13.9208","0.0008","95.383","0.003","91.851","0.002","107.7","0.004","1146.8","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 N4 O13.50 Sm","","","- C15 H24 N4 O13.5 Sm -","- C15 H13 N4 O13.5 Sm -","- C30 H26 N8 O27 Sm2 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0356","0.0307","","","0.073","0.0747","","","","","","1.001","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223541","9.1406","0.0009","9.4909","0.001","13.9426","0.0012","95.29","0.004","91.86","0.004","107.708","0.004","1145","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Eu N4 O13.50","","","- C15 H24 Eu N4 O13.5 -","- C15 H13 Eu N4 O13.5 -","- C30 H26 Eu2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0411","0.038","","","0.1006","0.1033","","","","","","1.057","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223542","9.0892","0.0004","9.4506","0.0006","13.922","0.0007","95.202","0.004","91.845","0.004","107.559","0.004","1133.23","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Gd N4 O13.50","","","- C15 H24 Gd N4 O13.5 -","- C15 H13 Gd N4 O13.5 -","- C30 H26 Gd2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.038","0.0338","","","0.0822","0.0853","","","","","","1.003","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223543","9.117","0.002","9.474","0.002","13.956","0.003","95.423","0.005","91.643","0.004","107.538","0.005","1142.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","C15 H24 N4 O13.50 Eu0.12 Gd0.88","","","- C15 H24 Eu0.12 Gd0.88 N4 O13.5 -","- C15 H13 Eu0.12 Gd0.88 N4 O13.5 -","- C30 H26 Eu0.24 Gd1.76 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0239","0.0216","","","0.0619","0.0633","","","","","","1.044","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223544","11.8801","0.0011","13.7323","0.0017","13.9872","0.0019","84.567","0.011","79.104","0.009","79.225","0.009","2197.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N4 O13 Zn -","- C54 H36 N4 O13 Zn -","- C108 H72 N8 O26 Zn2 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1717","0.077","","","0.1251","0.1885","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223545","8.0674","0.001","9.264","0.0015","13.4563","0.0018","72.758","0.013","83.095","0.011","82.579","0.012","948.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1322","0.0791","","","0.1877","0.2333","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223546","8.0767","0.0004","9.4789","0.0008","13.3988","0.0011","73.886","0.007","83.844","0.005","80.81","0.006","970.69","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1015","0.0597","","","0.1188","0.1428","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223547","14.4","0.002","13.9197","0.0017","17.1576","0.0019","90","","90","","90","","3439.1","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H30 N4 Ni O9 -","- C39 H30 N4 Ni O9 -","- C156 H120 N16 Ni4 O36 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1888","0.0937","","","0.1745","0.2294","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223548","20.3729","0.0006","9.7388","0.0003","17.7787","0.0006","90","","90","","90","","3527.43","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H23 Cd2 Cl N4 O6 -","- C39 H23 Cd2 Cl N4 O6 -","- C156 H92 Cd8 Cl4 N16 O24 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.0685","0.0515","","","0.1234","0.1411","","","","","","1.042","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223549","20.505","0.002","10.3482","0.0009","29.521","0.004","90","","113.518","0.015","90","","5743.7","1.3","293.64","0.1","293.64","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H42 N4 Ni3 O16 -","- C49 H42 N4 Ni3 O16 -","- C196 H168 N16 Ni12 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1558","0.0837","","","0.1803","0.2257","","","","","","0.933","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223550","20.6","0.005","10.4271","0.0011","29.646","0.005","90","","113.51","0.02","90","","5839","2","297.16","0.1","297.16","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Co3 N6 O16 -","- C60 H52 Co3 N6 O16 -","- C240 H208 Co12 N24 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1608","0.0829","","","0.168","0.2278","","","","","","1.041","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223551","12.058","0.0007","12.3182","0.0006","15.3976","0.0008","67.945","0.005","88.887","0.004","80.778","0.004","2090.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Co3.5 N2 O17 -","- C40 H33 Co3.5 N2 O17 -","- C80 H66 Co7 N4 O34 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1173","0.0704","","","0.1741","0.2193","","","","","","1.022","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223552","13.48481","0.00014","12.1638","0.00014","17.6457","0.0002","90","","95.1954","0.001","90","","2882.47","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 O14 Pb3 -","- C30 H18 O14 Pb3 -","- C120 H72 O56 Pb12 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","1.54184","CuKα","","0.0432","0.0287","","","0.0493","0.052","","","","","","0.965","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223553","10.8302","0.0004","33.4895","0.0016","13.8319","0.0006","90","","99.191","0.004","90","","4952.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C84 H72 N8 O19 S24 -","- C84 H56 N8 O19 S24 -","- C168 H112 N16 O38 S48 -","2","0.5","","Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.","Physical chemistry chemical physics : PCCP","2016","18","4","2940","2948","10.1039/c5cp06141e","","","1.54184","CuKα","","0.1281","0.0837","","","0.1767","0.1966","","","","","","1.182","","","","has coordinates,has disorder","176202","2020-10-21","18:00:00",""
"7223554","23.6681","0.0008","22.0587","0.0006","13.2272","0.0004","90","","111.589","0.003","90","","6421.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H52 N8 O21 S8 -","- C64 H52 N8 O21 S8 -","- C256 H208 N32 O84 S32 -","4","0.5","","Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.","Physical chemistry chemical physics : PCCP","2016","18","4","2940","2948","10.1039/c5cp06141e","","","0.71073","MoKα","","0.0516","0.0401","","","0.1063","0.1157","","","","","","1.034","","","","has coordinates","176202","2020-10-21","18:00:00",""
"7223579","15.2164","0.0012","13.1809","0.001","29.309","0.002","90","","92.577","0.003","90","","5872.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 N8 O5 S4 -","- C60 H70 N8 O5 S4 -","- C240 H280 N32 O20 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1732","0.1114","","","0.2497","0.2668","","","","","","1.124","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223580","26.6378","0.0006","12.7707","0.0003","19.6019","0.0004","90","","115.002","0.001","90","","6043.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 N8 S8 -","- C60 H72 N8 S8 -","- C240 H288 N32 S32 -","4","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.068","0.0479","","","0.1393","0.1568","","","","","","1.004","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223581","18.8461","0.0013","19.0515","0.0011","19.1473","0.001","99.994","0.003","113.12","0.002","115.126","0.0017","5224.5","0.6","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C143 H187 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","1","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.099","0.0713","","","0.2203","0.2441","","","","","","1.08","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223582","36.0428","0.001","12.4438","0.0003","20.2117","0.0007","90","","121.056","0.0017","90","","7765.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ag N5 O4 S4 -","- C34 H46 Ag N5 O4 S4 -","- C272 H368 Ag8 N40 O32 S32 -","8","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0819","0.0573","","","0.1489","0.165","","","","","","1.048","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223583","15.6888","0.0004","17.4322","0.0005","17.6605","0.0005","80.598","0.001","76.588","0.001","71.025","0.001","4422.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C132 H164 Ag4 Cl12 F24 N16 S16 Sb4 -","2","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0973","0.0646","","","0.1905","0.2215","","","","","","1.034","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223584","24.958","0.003","24.958","0.003","13.8496","0.0019","90","","90","","90","","8626.9","1.9","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 S4 Sb -","- C30 H36 Ag F6 N4 O3 S4 Sb -","- C240 H288 Ag8 F48 N32 O24 S32 Sb8 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1457","0.1092","","","0.3064","0.332","","","","","","1.005","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223585","24.2538","0.0009","24.2538","0.0009","13.6809","0.0005","90","","90","","90","","8047.7","0.5","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 P S4 -","- C30 H36 Ag F6 N4 O3 P S4 -","- C240 H288 Ag8 F48 N32 O24 P8 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0535","0.0495","","","0.1563","0.1644","","","","","","1.009","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223586","16.0983","0.0005","16.0983","0.0005","54.7728","0.0015","90","","90","","90","","14194.7","0.7","173","2","173","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C60 H74 Ag2 B2 F8 N8 O S8 -","- C60 H72 Ag2 B2 F8 N8 O S8 -","- C480 H576 Ag16 B16 F64 N64 O8 S64 -","8","","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1221","0.0796","","","0.2152","0.2376","","","","","","1.078","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223587","24.4165","0.0008","24.4165","0.0008","13.7457","0.0004","90","","90","","90","","8194.7","0.4","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag As F6 N4 O3 S4 -","- C30 H36 Ag As F6 N4 O3 S4 -","- C240 H288 Ag8 As8 F48 N32 O24 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0602","0.0485","","","0.1444","0.1516","","","","","","1.008","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223588","16.8948","0.0003","14.6737","0.0003","30.1055","0.0006","90","","90.706","0.001","90","","7462.9","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C276 H356 Ag4 Cl12 F24 N32 O16 S16 Sb4 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0806","0.0591","","","0.1543","0.1704","","","","","","1.023","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223589","22.7969","0.0011","17.2741","0.0008","19.4952","0.0009","90","","103.786","0.0009","90","","7456","0.6","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C68 H94 Ag B F4 N8 O7 S4 -","- C68 H88 Ag B F4 N8 O7 S4 -","- C272 H352 Ag4 B4 F16 N32 O28 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1232","0.0829","","","0.2117","0.2471","","","","","","1.022","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223590","34.813","0.003","20.6402","0.0019","16.304","0.0015","90","","102.678","0.001","90","","11429.6","1.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cageAg3PF6","","","- C110 H140 Ag3 F18 N12 O12 P3 -","- C102 H124 Ag3 F18 N12 O8 P3 -","- C408 H496 Ag12 F72 N48 O32 P12 -","4","1","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","0.71073","MoKα","","0.1336","0.0707","","","0.1916","0.2158","","","","","","0.959","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223591","19.0224","0.0007","15.7764","0.0007","38.4287","0.0015","90","","102.187","0.002","90","","11272.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag0.4 F2.4 N1.73 O0.53 P0.4 -","- C16 H16 Ag0.4 F2.4 N1.73333 O0.533333 P0.4 -","- C480 H480 Ag12 F72 N52 O16 P12 -","30","7.5","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","1.54178","CuKα","","0.0719","0.0532","","","0.1322","0.1438","","","","","","1.009","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223596","10.5124","0.0003","10.558","0.0003","20.3568","0.0007","90","","97.39","0.003","90","","2240.63","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,2,2-triiodovinyl)benzene","","- C8 H5 I3 -","- C8 H5 I3 -","- C64 H40 I24 -","8","2","","Berger, G.; Robeyns, K.; Soubhye, J.; Wintjens, R.; Meyer, F.","Halogen bonding in a multi-connected 1,2,2-triiodo-alkene involving geminal and/or vicinal iodines: a crystallographic and DFT study","CrystEngComm","2016","18","5","683","","10.1039/C5CE02230D","","","0.71073","MoKα","","0.0777","0.0726","","","0.2182","0.2233","","","","","","1.056","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223597","10.8729","0.0004","13.4826","0.0005","14.3867","0.0005","87.715","0.001","69.113","0.001","72.445","0.001","1873.23","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0341","0.028","","","0.0746","0.0772","","","","","","1.048","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223598","9.9421","0.0005","10.2311","0.0005","11.0928","0.0005","84.353","0.001","89.574","0.001","88.018","0.001","1122.19","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu Mo4 N3 O17 -","- C12 H8 Cu Mo4 N3 O17 -","- C24 H16 Cu2 Mo8 N6 O34 -","2","1","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0282","0.0243","","","0.0637","0.0654","","","","","","1.064","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223599","12.1956","0.0009","12.8736","0.001","14.2679","0.0011","81.879","0.002","71.871","0.001","76.485","0.001","2064.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0384","0.0306","","","0.0791","0.0823","","","","","","1.046","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223600","11.443","0.002","12.452","0.003","15.01","0.003","71.585","0.01","84.083","0.01","68.386","0.01","1886.3","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Cl Cu N4 O S2 -","- C38 H48 Cl Cu N4 O S2 -","- C76 H96 Cl2 Cu2 N8 O2 S4 -","2","1","","Barman, Milan Kr.; Sinha, Ashish Kumar; Nembenna, Sharanappa","An efficient and recyclable thiourea-supported copper(i) chloride catalyst for azide‒alkyne cycloaddition reactions","Green Chem.","2016","18","8","2534","","10.1039/C5GC02545A","","","0.71069","MoKα","","0.0516","0.037","","","0.0919","0.1012","","","","","","1.018","","","","has coordinates","182761","2020-10-21","18:00:00",""
"7223612","16.5478","0.001","16.5478","0.0012","12.4353","0.0015","90","","90","","120","","2949","0.5","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","0.71073","MoKα","","0.0618","0.056","","","0.1504","0.1542","","","","","","1.097","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223613","16.5272","0.0005","16.5272","0.0005","12.7024","0.0005","90","","90","","120","","3004.8","0.17","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","1.54184","CuKα","","0.0557","0.0467","","","0.1433","0.1525","","","","","","1.112","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223614","8.3971","0.0002","8.3248","0.0003","9.1806","0.0003","90","","91.672","0.003","90","","641.49","0.03","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 I N O -","- C5 H4 I N O -","- C20 H16 I4 N4 O4 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C–I⋯−O–N+halogen bond by host–guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","0.71073","MoKα","","0.0313","0.0278","","","0.0692","0.0724","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223615","12.4821","0.0003","15.644","0.0005","23.8049","0.0007","95.809","0.003","99.751","0.002","106.037","0.002","4348.9","0.2","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H58 I N O12 -","- C45 H58 I N O12 -","- C180 H232 I4 N4 O48 -","4","2","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C–I⋯−O–N+halogen bond by host–guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","1.54184","CuKα","","0.1009","0.0722","","","0.1809","0.2095","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223616","12.559","0.003","24.734","0.005","14.682","0.003","90","","90.28","0.03","90","","4560.7","1.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 N2 O10 -","- C52 H62 N2 O10 -","- C208 H248 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C–I⋯−O–N+halogen bond by host–guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1197","0.0624","","","0.1372","0.1622","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223617","11.929","0.002","12.698","0.003","17.705","0.004","76.17","0.03","75.84","0.03","84.38","0.03","2522.8","1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","1","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1659","0.0979","","","0.2502","0.2987","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223618","9.136","0.0018","11.097","0.002","22.784","0.005","92.12","0.03","96.27","0.03","103.65","0.03","2226.5","0.8","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H63 N O12 -","- C48 H63 N O12 -","- C96 H126 N2 O24 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C–I⋯−O–N+halogen bond by host–guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.0733","0.0534","","","0.1222","0.133","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223619","12.672","0.003","24.549","0.005","16.932","0.003","90","","103.57","0.03","90","","5120.2","1.9","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 N2 O14 -","- C52 H78 N2 O14 -","- C208 H312 N8 O56 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C–I⋯−O–N+halogen bond by host–guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1217","0.0743","","","0.1897","0.2168","","","","","","1.031","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223621","9.706","0.0008","9.8389","0.0009","20.4971","0.0018","91.899","0.001","92.021","0.001","109.147","0.002","1845.9","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Co N4 O8 -","- C46 H32 Co N4 O8 -","- C92 H64 Co2 N8 O16 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1126","0.0472","","","0.0755","0.0853","","","","","","0.9893","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223622","9.2805","0.0007","10.7128","0.0008","17.9162","0.0015","103.41","0.002","102.141","0.002","94.265","0.001","1679.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co2 N4 O9 -","- C38 H32 Co2 N4 O9 -","- C76 H64 Co4 N8 O18 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0987","0.0523","","","0.0769","0.0839","","","","","","0.984","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223623","6.615","0.0005","10.2951","0.0009","14.1409","0.0012","111.3","0.002","92.619","0.001","96.173","0.001","888.3","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0721","0.0531","","","0.1251","0.1368","","","","","","0.9988","","","","has coordinates,has disorder","175956","2020-10-21","18:00:00",""
"7223624","9.3587","0.0007","9.74","0.0008","10.5441","0.0009","68.781","0.001","64.02","0.001","88.873","0.002","794.29","0.11","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0702","0.0509","","","0.0898","0.1034","","","","","","1.046","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223625","8.952","0.0007","10.1019","0.0009","10.887","0.002","90.87","0.001","104.28","0.001","111.042","0.002","884.61","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N2 Ni O4 -","- C19 H15 N2 Ni O4 -","- C38 H30 N4 Ni2 O8 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1491","0.0862","","","0.1758","0.1906","","","","","","0.996","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223626","8.051","0.0008","10.0389","0.0009","18.4301","0.0015","87.918","0.002","79.934","0.001","87.256","0.002","1464.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N2 O10 -","- C34 H26 Cd N2 O10 -","- C68 H52 Cd2 N4 O20 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1118","0.0983","","","0.2609","0.2766","","","","","","1.079","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223627","11.105","0.0011","19.2931","0.0016","15.0216","0.0011","90","","125.643","0.005","90","","2615.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N2 O10 -","- C30 H20 Cd2 N2 O10 -","- C120 H80 Cd8 N8 O40 -","4","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1531","0.081","","","0.1595","0.1776","","","","","","1.028","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223633","21.2904","0.0004","21.2904","0.0004","19.3576","0.0007","90","","90","","90","","8774.4","0.4","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Eu4 N O37 -","- C83 H75 Eu4 N O37 -","- C332 H300 Eu16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0478","0.0306","","","0.0723","0.0778","","","","","","1.048","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223634","21.2232","0.0006","21.2232","0.0006","19.346","0.0011","90","","90","","90","","8713.9","0.6","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Gd4 N O37 -","- C83 H75 Gd4 N O37 -","- C332 H300 Gd16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0438","0.0329","","","0.0825","0.0874","","","","","","1.071","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223635","21.1619","0.0009","21.1619","0.0009","19.2599","0.0015","90","","90","","90","","8625.1","0.8","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Dy4 N O37 -","- C83 H75 Dy4 N O37 -","- C332 H300 Dy16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0568","0.0366","","","0.085","0.0917","","","","","","1.033","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223636","8.8422","0.0014","20.71","0.004","18.256","0.003","90","","111.944","0.01","90","","3100.9","1","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Eu N4 O10 -","- C34 H26 Br Eu N4 O10 -","- C136 H104 Br4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1052","0.0492","","","0.077","0.0917","","","","","","0.964","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223637","8.8847","0.0013","20.515","0.003","18.2437","0.0018","90","","111.624","0.005","90","","3091.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C136 H104 Br2 Cl2 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0865","0.0562","","","0.1379","0.1564","","","","","","1.066","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223638","8.8828","0.0008","20.4075","0.0016","18.1897","0.0015","90","","111.389","0.005","90","","3070.2","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Eu N4 O10 -","- C34 H26 Cl Eu N4 O10 -","- C136 H104 Cl4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1571","0.0762","","","0.1439","0.1777","","","","","","1.013","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223639","8.86","0.005","20.463","0.011","18.141","0.008","90","","111.41","0.02","90","","3062","3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl N4 O10 Tb -","- C34 H26 Cl N4 O10 Tb -","- C136 H104 Cl4 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0632","0.0404","","","0.0863","0.0949","","","","","","1.026","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223640","8.844","0.0012","20.509","0.003","18.1951","0.0018","90","","111.645","0.005","90","","3067.5","0.7","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C136 H104 Br2 Cl2 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0585","0.0459","","","0.1228","0.132","","","","","","1.059","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223641","23.6157","0.0017","9.9206","0.0007","27.2126","0.0017","90","","96.51","0.004","90","","6334.3","0.8","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Br N4 O10 Tb -","- C34 H26 Br N4 O10 Tb -","- C272 H208 Br8 N32 O80 Tb8 -","8","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0628","0.035","","","0.0643","0.0734","","","","","","0.999","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223642","8.8072","0.0006","20.3895","0.0018","18.0976","0.0018","90","","110.985","0.007","90","","3034.3","0.5","295.06","0.1","295.06","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Gd N4 O10 -","- C34 H26 Cl Gd N4 O10 -","- C136 H104 Cl4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71073","MoKα","","0.0916","0.0654","","","0.151","0.1694","","","","","","1.092","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223643","8.7794","0.0004","20.4692","0.0008","18.1663","0.0007","90","","111.26","0.004","90","","3042.4","0.2","295.06","0.1","295.06","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C136 H104 Br2 Cl2 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71","MoKα","","0.0803","0.0585","","","0.1326","0.153","","","","","","1.051","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223644","8.865","0.013","20.83","0.03","18.31","0.03","90","","111.81","0.06","90","","3139","8","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Gd N4 O10 -","- C34 H26 Br Gd N4 O10 -","- C136 H104 Br4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0864","0.0478","","","0.1003","0.1174","","","","","","1.009","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223645","9.8308","0.0005","12.7386","0.0005","14.0472","0.0006","80.597","0.004","84.851","0.004","88.345","0.004","1728.32","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl4 N16 O Zn3 -","- C28 H20 Cl4 N16 O Zn3 -","- C56 H40 Cl8 N32 O2 Zn6 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1083","0.0575","","","0.0753","0.0917","","","","","","0.973","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223646","8.481","0.0004","17.5518","0.0005","18.3575","0.0005","90","","90","","90","","2732.64","0.17","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H8 Cl3 N9 Zn2 -","- C20 H8 Cl3 N9 Zn2 -","- C80 H32 Cl12 N36 Zn8 -","4","0.5","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0945","0.0565","","","0.1365","0.1523","","","","","","1.045","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223647","21.4709","0.0014","21.4709","0.0014","11.969","0.0011","90","","90","","120","","4778.5","0.6","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 Cl6 N24 O2 -","- C42 H24 Cd6 Cl6 N24 O2 -","- C126 H72 Cd18 Cl18 N72 O6 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0703","0.0435","","","0.0851","0.1011","","","","","","1.087","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223648","22.0601","0.0014","22.0601","0.0014","11.9194","0.0015","90","","90","","120","","5023.4","0.8","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 I6 N24 O -","- C42 H24 Cd6 I6 N24 O0.98 -","- C126 H72 Cd18 I18 N72 O2.94 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0592","0.0473","","","0.1167","0.1262","","","","","","1.049","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223649","13.269","0.002","15.3212","0.0014","9.0739","0.0011","90","","94.921","0.016","90","","1837.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Cd2 N8 O -","- C14 H10 Br2 Cd2 N8 O -","- C56 H40 Br8 Cd8 N32 O4 -","4","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1191","0.0648","","","0.1381","0.1686","","","","","","1.028","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223650","7.5634","0.0004","10.2048","0.0004","14.7545","0.0007","77.097","0.004","84.449","0.004","88.279","0.004","1104.79","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cd2 I4 N8 -","- C14 H10 Cd2 I4 N8 -","- C28 H20 Cd4 I8 N16 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0658","0.055","","","0.1465","0.1563","","","","","","1.044","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223651","16.0033","0.0007","11.5923","0.0005","22.053","0.001","90","","94.549","0.002","90","","4078.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 O28 S8 -","- C72 H96 O28 S8 -","- C144 H192 O56 S16 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1084","0.0705","","","0.1585","0.1818","","","","","","1.024","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223652","13.312","0.0003","17.0039","0.0004","22.7649","0.0005","105.34","0.001","102.612","0.001","106.369","0.001","4522.76","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H132 O30 S14 -","- C56 H36 O16 -","- C112 H72 O32 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1907","0.1669","","","0.5569","0.5766","","","","","","2.49","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223653","10.3128","0.0004","13.6528","0.0005","15.1819","0.0006","113.311","0.002","105.47","0.002","95.699","0.002","1840.6","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0731","0.0433","","","0.0907","0.1018","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223654","13.9805","0.0014","16.3367","0.0016","24.278","0.002","77.851","0.001","73.707","0.001","73.719","0.001","5056.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1706","0.0721","","","0.2033","0.2652","","","","","","1.074","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223655","13.5643","0.001","14.1911","0.0011","15.9372","0.0012","110.429","0.004","109.634","0.004","92.886","0.005","2658.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1214","0.0744","","","0.1725","0.1928","","","","","","1.02","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223656","12.9732","0.0018","14.665","0.002","15.949","0.002","97.687","0.002","112.271","0.002","98.894","0.002","2712.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1176","0.0996","","","0.2633","0.2742","","","","","","1.103","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223657","12.3525","0.0006","13.8124","0.0008","15.0196","0.0008","112.326","0.002","112.595","0.002","93.556","0.002","2122.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1651","0.135","","","0.4052","0.4342","","","","","","1.828","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223658","10.6715","0.0003","16.8763","0.0005","24.6079","0.0007","97.9","0.001","102.264","0.001","99.408","0.001","4203.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1385","0.1296","","","0.2455","0.2491","","","","","","1.086","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223659","12.5293","0.0012","13.2447","0.0012","13.6375","0.0013","112.439","0.001","109.559","0.001","92.935","0.001","1929","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0605","0.0409","","","0.0954","0.1045","","","","","","1.032","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223660","13.6701","0.0002","16.5031","0.0003","21.1363","0.0003","90","","99.896","0.001","90","","4697.38","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H120 O24 S12 -","- C80 H120 O24 S12 -","- C160 H240 O48 S24 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1532","0.1465","","","0.4846","0.4988","","","","","","2.554","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223661","13.887","0.002","15.638","0.002","23.205","0.003","99.446","0.002","101.639","0.002","114.753","0.002","4303.6","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1307","0.0655","","","0.1579","0.1962","","","","","","1.022","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223662","12.108","0.0012","13.5922","0.0013","26.446","0.003","88.602","0.001","85.738","0.001","83.463","0.001","4311.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H112 O20 S8 -","- C80 H112 O20 S8 -","- C160 H224 O40 S16 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0995","0.051","","","0.1027","0.1204","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223663","13.065","0.0003","14.1576","0.0003","15.2003","0.0003","72.404","0.001","76.963","0.001","75.955","0.001","2564.45","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.0618","0.0574","","","0.1696","0.1747","","","","","","1.054","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223717","12.135","0.015","3.979","0.005","18.38","0.02","90","","91.4","0.03","90","","887.2","1.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthalaldehydic acid cyclised isomer 15.","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0597","0.0424","","","0.1017","0.1102","","","","","","0.97","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223718","14.953","0.002","5.0185","0.0006","12.3691","0.0019","90","","100.389","0.013","90","","913","0.2","151","2","151","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","lithium naphthalaldehydate Li.14","","- C12 H7 Li O3 -","- C12 H7 Li O3 -","- C48 H28 Li4 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.1705","0.1629","","","0.4689","0.4719","","","","","","1.193","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223719","7.3837","0.0004","30.138","0.002","4.8965","0.0003","90","","90","","90","","1089.62","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthaldic acid potassium salt .1H2O K.14.H2O","","- C12 H9 K O4 -","- C12 H9 K O4 -","- C48 H36 K4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.0858","0.0782","","","0.1806","0.1848","","","","","","1.122","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223720","7.852","0.006","29.89","0.02","4.998","0.003","90","","90","","90","","1173","1.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthalaldehydic acid cesium salt. 1H2O Cs.14.H2O","","- C12 H9 Cs O4 -","- C12 H9 Cs O4 -","- C48 H36 Cs4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0586","0.0478","","","0.093","0.0994","","","","","","1.051","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223721","20.9749","0.0014","19.1882","0.0006","13.2738","0.0004","90","","90","","90","","5342.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N',N''-triphenylguanidinium naphthalaldehydate,(PhNH)3C.15","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C248 H200 N24 O24 -","8","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0518","0.0394","","","0.094","0.1004","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:16:49",""
"7223722","9.0149","0.0005","9.7808","0.0005","18.7439","0.0011","90","","102.981","0.005","90","","1610.47","0.16","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetramethylguanidinium naphthalaldehydate,(Me2N)2CNH2.15","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0691","0.0527","","","0.1008","0.1069","","","","","","1.154","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223723","15.3271","0.0004","8.3575","0.0003","20.696","0.0006","90","","105.966","0.003","90","","2548.81","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-dimethylaminopyridium naphthalaldehydate.naphthalaldehydic acidDMAP.14.15","","- C31 H26 N2 O6 -","- C31 H26 N2 O6 -","- C124 H104 N8 O24 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0806","0.0626","","","0.1327","0.1414","","","","","","1.098","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223724","8.6","0.0004","8.6685","0.0004","9.647","0.0006","101.959","0.007","106.112","0.008","105.087","0.007","636.12","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Morpholinyl)-1H,3H-naphtho[1,8-cd]pyran-1-one, A","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0403","0.0363","","","0.102","0.1047","","","","","","1.073","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223725","34.2012","0.0019","10.3247","0.0006","12.1234","0.0006","90","","90","","90","","4281","0.4","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H14 Cl N5 -","- C8 H14 Cl N5 -","- C128 H224 Cl16 N80 -","16","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N–H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.0506","0.0442","","","0.1126","0.1182","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223726","4.439","0.0009","11.98","0.002","17.852","0.004","90","","94.04","0.03","90","","947","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Cl N5 -","- C7 H12 Cl N5 -","- C28 H48 Cl4 N20 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N–H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","Synchrotron","","0.0455","0.0437","","","0.128","0.1304","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223727","19.847","0.004","9.616","0.0019","23.793","0.005","90","","90","","90","","4540.9","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N10 -","- C16 H28 Cl2 N10 -","- C128 H224 Cl16 N80 -","8","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.152","0.1101","","","0.2366","0.2566","","","","","","1.141","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223728","11.908","0.003","19.374","0.007","15.441","0.005","90","","105.86","0.02","90","","3426.7","1.9","150","2","150.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl10 N10 -","- C20 H32 Cl10 N10 -","- C80 H128 Cl40 N40 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.2937","0.1058","","","0.2634","0.3773","","","","","","0.981","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223729","14.8405","0.0006","10.2671","0.0004","20.6587","0.0009","90","","110.219","0.001","90","","2953.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Phloroglucinol Hydrate","","- C29 H33 Cl2 N3 O6 -","- C29 H33 Cl2 N3 O6 -","- C116 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0824","0.073","","","0.2054","0.2151","","","","","","1.08","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223730","14.7282","0.0012","9.882","0.0008","20.8815","0.0014","90","","111.174","0.005","90","","2834","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Resorcinol","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C116 H132 Cl8 N12 O16 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0421","0.0363","","","0.1021","0.1075","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223731","14.7513","0.0016","9.9206","0.0011","20.9131","0.0017","90","","111.104","0.006","90","","2855.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Catechol Hydrate","","- C29 H33 Cl2 N3 O4.29 -","- C29 H33 Cl2 N3 O4.293 -","- C116 H132 Cl8 N12 O17.172 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0781","0.0648","","","0.156","0.1647","","","","","","1.124","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223732","6.9061","0.0008","9.4544","0.0011","22.484","0.003","96.056","0.002","95.355","0.002","100.696","0.002","1424.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1:1 cocrystal of Aripiprazole and Hydroquinone","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C58 H66 Cl4 N6 O8 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0827","0.0493","","","0.1177","0.1348","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223733","14.7016","0.0011","9.9378","0.0007","20.9827","0.0012","90","","111.121","0.004","90","","2859.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Pyrograllol Hydrate","","- C29 H33 Cl2 N3 O5.26 -","- C29 H33 Cl2 N3 O5.256 -","- C116 H132 Cl8 N12 O21.024 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0375","0.0335","","","0.0935","0.0977","","","","","","1.03","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223734","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223735","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223736","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223737","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223738","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223739","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223740","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223741","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223750","28.281","0.004","20.849","0.003","30.699","0.004","90","","90.994","0.009","90","","18098","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CalciumMOF","","","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C580 H436 Ca28 N20 O184 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.2647","0.125","","","0.2347","0.2952","","","","","","0.943","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223751","18.2197","0.0011","31.5978","0.0017","29.862","0.002","90","","101.311","0.003","90","","16857.7","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","strontiumMOF","","","- C56 H43 N O14.5 Sr2.5 -","- C56 H43 N O14.5 Sr2.5 -","- C448 H344 N8 O116 Sr20 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal–organic frameworks: synthesis and structure–property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.1587","0.0809","","","0.186","0.2169","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223752","7.2993","0.0002","19.3615","0.0006","26.0984","0.0009","90","","90","","90","","3688.4","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","BariumMOF","","","- C29 H17 Ba N O7 -","- C29 H17 Ba N O7 -","- C116 H68 Ba4 N4 O28 -","4","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.0557","0.0451","","","0.1318","0.1456","","","","","","1.255","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223753","18.9997","0.0007","9.4546","0.0003","7.4275","0.0003","90","","95.743","0.004","90","","1327.54","0.08","120","0.1","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2 anthraquinone-dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.7107","MoKα","","0.0621","0.0441","","","0.1075","0.1193","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223754","19.0868","0.0008","9.4849","0.0004","7.4588","0.0003","90","","94.757","0.004","90","","1345.66","0.1","302.3","0.6","302.3","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinone dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0375","0.034","","","0.0939","0.0974","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223755","8.0799","0.0002","10.6463","0.0002","14.6639","0.0003","90","","102.507","0.002","90","","1231.47","0.05","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinonedicarboxylate","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.035","0.0327","","","0.0912","0.0938","","","","","","1.093","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223756","8.1681","0.0004","10.6558","0.0005","14.7002","0.0007","90","","101.68","0.005","90","","1252.98","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.0403","0.0349","","","0.0938","0.0993","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223757","8.0703","0.0003","5.1497","0.0002","14.7759","0.0005","90","","95.073","0.003","90","","611.68","0.04","121","2","121","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilithium 1,5-dihydroxyanthraquinone","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C28 H20 Li4 O12 -","2","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0305","0.0294","","","0.0804","0.0812","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223758","8.0719","0.0003","5.1821","0.0002","14.8188","0.0005","90","","94.926","0.003","90","","617.57","0.04","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C28 H20 Li4 O12 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0368","0.034","","","0.0992","0.1017","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223759","7.1641","0.0003","16.1044","0.0009","10.7351","0.0007","90","","90","","90","","1238.55","0.12","121.7","0.9","121.7","0.9","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium quinizarin","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C56 H40 Li8 O24 -","4","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0573","0.0551","","","0.1359","0.1375","","","","","","1.0348","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223760","7.1681","0.0003","16.0902","0.0006","10.7456","0.0006","90","","90","","90","","1239.36","0.1","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C56 H40 Li8 O24 -","8","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.054","0.0528","","","0.1298","0.1305","","","","","","1.0463","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223761","3.8011","0.0002","15.9753","0.0011","18.0272","0.0009","90","","90","","90","","1094.68","0.11","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H9 Li O5 -","- C14 H9 Li O5 -","- C56 H36 Li4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0638","0.0572","","","0.1404","0.1488","","","","","","1.049","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223762","3.6746","0.0002","16.1112","0.0011","18.1111","0.0014","90","","90","","90","","1072.22","0.13","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H7.5 Li O4.25 -","- C14 H7.4 Li O4.2 -","- C56 H29.6 Li4 O16.8 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1969","0.0829","","","0.1803","0.2168","","","","","","1.065","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223763","4.8535","0.0003","13.0952","0.001","18.9644","0.0012","90","","90","","90","","1205.33","0.14","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0514","0.0466","","","0.124","0.1285","","","","","","1.0713","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223764","4.8953","0.0004","13.2668","0.001","19.1081","0.0014","90","","90","","90","","1240.97","0.17","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-Hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1606","0.07","","","0.1328","0.1745","","","","","","1.0796","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223765","5.0112","0.0002","7.5031","0.0004","21.0358","0.0008","97.619","0.004","91.892","0.004","108.338","0.005","741.79","0.06","121","3","121","3","","","","","","","","4","P -1","-P 1","2","","1,5-dihydroxyanthraquinone lithium salt","","- C14 H16 Li2 O9 -","- C14 H16 Li2 O9 -","- C28 H32 Li4 O18 -","2","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0406","0.0358","","","0.0964","0.1022","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223766","7.3423","0.0002","10.0879","0.0002","14.4961","0.0003","90","","89.137","0.002","90","","1073.58","0.04","120","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hyrdoxy-4-nitiroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0478","0.0448","","","0.1334","0.1398","","","","","","1.082","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223767","7.4696","0.0003","10.1464","0.0004","14.5732","0.0006","90","","90.118","0.004","90","","1104.49","0.08","300","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-Nitroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0997","0.0641","","","0.1919","0.2836","","","","","","1.1051","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223768","12.0297","0.0005","12.0413","0.0006","13.5174","0.0005","90","","100.597","0.004","90","","1924.64","0.15","121","1","121","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0438","0.0373","","","0.1027","0.1088","","","","","","1.033","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223769","12.0519","0.0003","12.0497","0.0003","13.5108","0.0003","90","","101.003","0.003","90","","1925.99","0.08","300","0.14","300","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0383","0.0293","","","0.0789","0.0843","","","","","","1.039","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223770","28.525","","29.966","","14.784","","90","","109.02","","90","","11947.1","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H47 N5 O9 Zn2 -","- C75 H47 N5 O9 Zn2 -","- C600 H376 N40 O72 Zn16 -","8","1","","Liu, Yue; Chen, Dashu; Li, Xingyu; Yu, Ziyang; Xia, Qiansu; Liang, Desheng; Xing, Hongzhu","Visible-light-induced controlled radical polymerization of methacrylates mediated by a pillared-layer metal‒organic framework","Green Chem.","2016","18","6","1475","","10.1039/C5GC02620B","","","0.71073","MoKα","","0.226","0.1421","","","0.3663","0.4121","","","","","","1.085","","","","has coordinates","181751","2020-10-21","18:00:00",""
"7223799","5.8253","0.0007","8.3302","0.0005","42.609","0.002","90","","90","","90","","2067.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 S -","- C23 H26 O6 S -","- C92 H104 O24 S4 -","4","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0582","0.0527","","","0.1081","0.1103","","","","","","1.153","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223800","5.1361","0.0003","8.6117","0.0005","15.789","0.0008","90","","96.403","0.005","90","","694","0.07","291.85","0.1","291.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 O5 S -","- C13 H18 O5 S -","- C26 H36 O10 S2 -","2","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0366","0.0345","","","0.0837","0.0856","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223801","11.1679","0.0007","7.7832","0.0005","19.3582","0.0013","90","","100.192","0.007","90","","1656.1","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O5.5 S -","- C16 H23 O5.5 S -","- C64 H92 O22 S4 -","4","2","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0835","0.0655","","","0.1126","0.1213","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:49",""
"7223834","10.5276","0.0008","11.0184","0.0008","12.8075","0.0008","90","","100.792","0.007","90","","1459.36","0.18","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C52 H76 N8 O12 -","2","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","","0.71073","MoKα","","0.1416","0.079","","","0.1865","0.2206","","","","","","0.963","","","","has coordinates,has disorder","301865","2025-08-22","16:16:50",""
"7223835","8.9295","0.0002","15.865","0.0004","21.5604","0.0007","90","","90","","90","","3054.39","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","x-ray","0.71073","MoKα","","0.0416","0.0384","","","0.1045","0.1062","","","","","","1.152","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223836","28.2798","0.0011","28.2798","0.0011","5.9321","0.0003","90","","90","","120","","4108.6","0.3","170","2","170","","","","","","","","","3","P 65","P 65","170","","vitamin D3","","- C27 H44 O -","- C27 H44 O -","- C162 H264 O6 -","6","1","","Wang, Jian-Rong; Zhu, Bingqing; Yu, Qihui; Mei, Xuefeng","Selective crystallization of vitamin D3for the preparation of novel conformational polymorphs with distinctive chemical stability","CrystEngComm","2016","18","7","1101","","10.1039/C5CE02431E","","","0.71073","MoKα","","0.1118","0.0654","","","0.1492","0.1728","","","","","","1.021","","","","has coordinates,has disorder","301865","2025-08-22","16:16:50",""
"7223837","6.2713","0.0005","13.5593","0.0011","10.7931","0.0008","90","","97.635","0.009","90","","909.65","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 Pd S4 -","- C4 H6 O2 Pd S4 -","- C16 H24 O8 Pd4 S16 -","4","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0714","0.0421","","","0.0709","0.0834","","","","","","1.017","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223838","7.5034","0.0004","7.2125","0.0004","20.7854","0.0012","90","","90","","90","","1124.87","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54178","CuKα","","0.0282","0.0251","","","0.0691","0.0721","","","","","","1.127","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223839","7.4778","0.0004","9.5272","0.0006","9.8084","0.0005","74.832","0.005","86.458","0.004","76.292","0.005","655.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0473","0.0334","","","0.0694","0.0775","","","","","","1.068","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223840","9.9077","0.0006","5.872","0.0003","11.9621","0.0006","90","","102.752","0.005","90","","678.77","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0313","0.0277","","","0.0718","0.0741","","","","","","1.054","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223841","5.7038","0.0004","6.7822","0.0004","10.5967","0.0008","72.42","0.006","78.467","0.006","79.852","0.005","379.94","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0263","0.024","","","0.0613","0.0638","","","","","","1.103","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223842","6.0243","0.0004","8.0461","0.0006","8.9366","0.0007","111.05","0.007","99.851","0.006","103.836","0.006","376.42","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.0283","0.0282","","","0.0766","0.0769","","","","","","1.048","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223843","7.0663","0.0005","8.4457","0.0003","9.2536","0.0004","63.74","0.004","73.752","0.003","83.782","0.003","475.4","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0181","0.0166","","","0.0418","0.0429","","","","","","1.041","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223844","6.1398","0.0006","6.7176","0.0005","11.9393","0.001","90.02","0.007","99.397","0.007","95.377","0.007","483.63","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.059","0.0563","","","0.1583","0.1636","","","","","","1.081","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223845","6.882","0.0011","7.3531","0.0012","10.0455","0.001","70.305","0.012","70.788","0.012","67.164","0.015","429.42","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.058","0.0543","","","0.1584","0.1659","","","","","","1.093","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223846","6.5622","0.0004","6.8643","0.0005","9.8385","0.0007","84.811","0.006","76.424","0.006","83.388","0.006","427","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0327","0.0294","","","0.0781","0.0829","","","","","","1.129","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223847","6.2746","0.0003","6.3302","0.0004","11.4138","0.0006","79.69","0.005","88.152","0.004","86.065","0.005","444.89","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0276","0.0234","","","0.0472","0.0492","","","","","","1.066","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223848","6.8083","0.0005","7.5446","0.0004","10.4837","0.0008","101.008","0.006","98.983","0.006","112.048","0.006","474.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0329","0.0291","","","0.0644","0.0678","","","","","","1.08","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223851","18.583","0.001","18.583","0.001","14.503","0.001","90","0","90","0","120","0","4337.3","0.4","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H21 F6 Mn O6 -","- C30 H21 F6 Mn O6 -","- C180 H126 F36 Mn6 O36 -","6","0.333333","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.0718","0.0505","","","0.1328","0.1513","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223852","16.325","0.001","17.663","0.001","12.491","0.001","90","","115.434","0.01","90","","3252.7","0.5","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Cl Mn N2 O8 -","- C28 H40 Cl Mn N2 O8 -","- C112 H160 Cl4 Mn4 N8 O32 -","4","0.5","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.1241","0.0844","","","0.223","0.2818","","","","","","1.038","","","","has coordinates,has disorder","177937","2020-10-21","18:00:00",""
"7223853","18.2229","0.0009","19.0407","0.001","11.7031","0.0007","90","","115.785","0.002","90","","3656.4","0.3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 F4 Mn N2 O4 -","- C38 H40 F4 Mn N2 O4 -","- C152 H160 F16 Mn4 N8 O16 -","4","0.5","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.0998","0.075","","","0.2065","0.231","","","","","","1.089","","","","has coordinates,has disorder","177937","2020-10-21","18:00:00",""
"7223863","14.07","0.006","14.07","0.006","19.864","0.008","90","","90","","120","","3406","2","100","2","100","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","Poly{[tris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')diaquatricadmium(II)]dimethylformamide}","","- C45 H35 Cd3 N O15 -","- C42 H24 Cd3 O14 -","- C126 H72 Cd9 O42 -","3","0.166667","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.1186","0.0547","","","0.1396","0.1548","","","","","","1.006","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223864","47.928","0.004","13.828","0.001","26.187","0.002","90","","114.491","0.002","90","","15794","2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu4-biphenyl-4,4'-dicarboxylato-kO:kO,O':kO'':kO'',O''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)trizinc(II)]pentakisdimethylformamide}","","- C69 H69 N9 O17 Zn3 -","- C54 H34 N4 O12 Zn3 -","- C432 H272 N32 O96 Zn24 -","8","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0877","0.0538","","","0.1338","0.1443","","","","","","0.925","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223865","15.174","0.002","15.185","0.002","18.174","0.002","81.094","0.003","84.734","0.003","78.952","0.003","4052.1","0.9","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)dizinc(II)]heptakisdimethylformamide}","","- C61 H75 N11 O15 Zn2 -","- C40 H26 N4 O8 Zn2 -","- C80 H52 N8 O16 Zn4 -","2","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0814","0.0598","","","0.1542","0.1605","","","","","","0.998","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223866","17.256","0.004","23.227","0.006","25.426","0.006","90","","90","","90","","10191","4","100","2","100","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","Poly{[diaquatris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')dimethylformamide(mu4-oxo)tetrazinc(II)]heptakisdimethylformamidetrihydrate}","","- C66 H88 N8 O25 Zn4 -","- C47.4 H24 N1.8 O16.8 Zn4 -","- C189.6 H96 N7.2 O67.2 Zn16 -","4","0.5","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0747","0.0711","","","0.1975","0.2018","","","","","","1.09","","","","has coordinates,has disorder","177755","2020-10-21","18:00:00",""
"7223867","17.726","0.002","17.726","0.002","38.491","0.005","90","","90","","90","","12094","2","298","2","298","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C24 H54 Co6 F12 N8 O43 -","- C24 H54 Co6 F12 N8 O43 -","- C192 H432 Co48 F96 N64 O344 -","8","","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","0.71073","MoKα","","0.0802","0.0531","","","0.1439","0.166","","","","","","1.038","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223868","32.9672","0.0002","32.9672","0.0002","32.9672","0.0002","90","","90","","90","","35829.9","0.4","153","2","153","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C42 H24 F18 Mn7 N15 O24 -","- C42 H24 F18 Mn7 N15 O24 -","- C672 H384 F288 Mn112 N240 O384 -","16","0.333333","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","1.54178","CuKα","","0.1273","0.0795","","","0.1877","0.2056","","","","","","1.081","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223869","20.2531","0.0007","19.4998","0.0004","29.3833","0.0008","90","","122.99","0.003","90","","9733.4","0.6","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 Co4.5 N34 O12 W3 -","- C72 H54 Co4.5 N34 O12 W3 -","- C288 H216 Co18 N136 O48 W12 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71073","MoKα","","0.1443","0.0855","","","0.1817","0.2134","","","","","","1.06","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223870","19.0923","0.0003","20.3195","0.0004","31.5482","0.0006","72.427","0.001","77.063","0.001","68.621","0.001","10775.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C164.5 H169.5 Co9 N72.5 O28.5 W6 -","- C164.5 H142.5 Co9 N72.5 O28.5 W6 -","- C329 H285 Co18 N145 O57 W12 -","2","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.0458","0.0371","","","0.0885","0.0979","","","","","","1.04","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223871","19.4379","0.0004","35.2593","0.0009","30.9195","0.0006","90","","91.67","0.006","90","","21182.2","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C165 H164.5 Co9 N69.5 O24 W6 -","- C165 H118.5 Co9 N69.5 O24 W6 -","- C660 H474 Co36 N278 O96 W24 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.1307","0.107","","","0.2028","0.2123","","","","","","1.187","","","","has coordinates,has disorder","177767","2020-10-21","18:00:00",""
"7223872","9.7748","0.001","36.406","0.003","6.5704","0.0006","90","","90","","90","","2338.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H34 O3 S -","- C26 H34 O3 S -","- C104 H136 O12 S4 -","4","1","","Huang, Mingming; Hu, Liangzhen; Shen, Hang; Liu, Qing; Hussain, Muhammad Ijaz; Pan, Jing; Xiong, Yan","Sulfination of alcohols with sodium sulfinates promoted by BF3·OEt2: an unexpected access","Green Chem.","2016","18","7","1874","","10.1039/C5GC02846A","","","0.71073","MoKα","","0.0657","0.0566","","","0.1607","0.1695","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223876","16.6133","0.001","6.9533","0.0004","19.4632","0.0011","90","","106.99","0.001","90","","2150.2","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aripiprazole; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril","7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","","0.71073","MoKα","","0.0462","0.0345","","0.0824","0.0767","0.0824","","","","","","0.9636","","","","has coordinates,has disorder","301865","2025-08-22","16:16:50",""
"7223877","7.7282","0.0006","10.7005","0.0008","15.4954","0.0012","83.863","0.001","78.191","0.001","73.576","0.001","1201.46","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","aripiprazole 1-propanol solvate; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril 1-propanol solvate","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydroquinolin-2(1H)-one 1-propanol solvate","","- C24.5 H30.5 Cl2 N3 O2.5 -","- C24.5 H30.5 Cl2 N3 O2.5 -","- C49 H61 Cl4 N6 O5 -","2","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0972","0.1099","","","","","","1.034","","","","has coordinates","177759","2020-10-21","18:00:00",""
"7223878","14.4563","0.0014","24.746","0.002","14.626","0.002","90","","112.294","0.006","90","","4841.1","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C30 H12 N6 O3 -","- C30 H12 N6 O3 -","- C240 H96 N48 O24 -","8","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.1219","0.0539","","","0.1045","0.1294","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223879","8.0768","0.0005","8.5809","0.0005","13.4764","0.0008","74.672","0.003","88.214","0.003","77.262","0.003","878.24","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C44 H20 N8 O4 -","2","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0353","0.0323","","","0.0815","0.0843","","","","","","1.099","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223880","10.2611","0.001","13.4117","0.0012","18.9648","0.0017","90","","101.601","0.006","90","","2556.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phthalonitrile","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0909","0.0496","","","0.1109","0.1277","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223881","20.9421","0.0011","5.0644","0.0003","32.897","0.0019","90","","90","","90","","3489","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C176 H80 N32 O16 -","8","2","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.079","0.045","","","0.0758","0.0869","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223882","13.7511","0.0006","7.3953","0.0003","17.5013","0.0008","90","","91.983","0.002","90","","1778.7","0.13","148","2","148","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C88 H40 N16 O8 -","4","0.5","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0384","0.0341","","","0.0944","0.098","","","","","","1.109","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223893","9.8229","0.0002","11.4914","0.0002","16.3886","0.0003","94.801","0.005","103.133","0.004","97.661","0.005","1772.97","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 La N4 O13 -","- C36 H35 La N4 O13 -","- C72 H70 La2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71069","MoKα","","0.0622","0.0543","","","0.1546","0.1588","","","","","","0.963","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223894","9.8826","0.0002","11.5594","0.0003","16.3655","0.0004","94.257","0.001","103.951","0.001","97.86","0.002","1786.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 Ce N4 O13 -","- C36 H35 Ce N4 O13 -","- C72 H70 Ce2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0561","0.0505","","","0.148","0.1516","","","","","","1.078","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223895","27.0059","0.0007","27.0059","0.0007","27.0059","0.0007","90","","90","","90","","19695.9","0.9","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C31 H43 La N6 O14 -","- C20 H14 La N2 O10 -","- C480 H336 La24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0844","0.0648","","","0.1907","0.223","","","","","","1.049","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223896","26.921","0.002","26.921","0.002","26.921","0.002","90","","90","","90","","19511","3","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C29 H36 Ce N5 O13 -","- C20 H14 Ce N2 O10 -","- C480 H336 Ce24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0588","0.0496","","","0.1343","0.1456","","","","","","1.073","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223897","26.681","0.003","26.681","0.003","26.681","0.003","90","","90","","90","","18994","4","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C23 H24 N5 O13 Sm -","- C20 H14 N2 O10 Sm -","- C480 H336 N48 O240 Sm24 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0741","0.0452","","","0.1152","0.1283","","","","","","1.025","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223898","25.917","0.003","25.917","0.003","30.915","0.004","90","","90","","120","","17983","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H43 N8 O13.17 Sm -","- C33 H43 N8 O13.1667 Sm -","- C594 H774 N144 O237 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.079","0.0496","","","0.1197","0.138","","","","","","1.049","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223899","25.758","0.004","25.758","0.004","30.055","0.004","90","","90","","120","","17269","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30.33 H36.53 N7 O12.5 Sm -","- C30.3333 H36.99 N7 O12.5 Sm -","- C546 H665.82 N126 O225 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.1306","0.0502","","","0.0925","0.1239","","","","","","1.003","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223915","8.2134","0.0016","16.974","0.003","19.396","0.006","90","","101.13","0.03","90","","2653.2","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H42 Cu2 N20 O13 -","- C32 H42 Cu2 N20 O13 -","- C64 H84 Cu4 N40 O26 -","2","0.25","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.1526","0.0788","","","0.2186","0.2485","","","","","","0.986","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223916","4.8427","0.001","9.4938","0.0019","20.097","0.004","90","","92.37","0.03","90","","923.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co N10 O4 -","- C16 H16 Co N10 O4 -","- C32 H32 Co2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0668","0.0563","","","0.1466","0.1544","","","","","","1.131","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223917","4.914","0.001","9.3923","0.0019","20.417","0.004","90","","92.66","0.03","90","","941.3","0.3","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N10 O4 -","- C16 H16 Mn N10 O4 -","- C32 H32 Mn2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0768","0.0577","","","0.1021","0.11","","","","","","1.127","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223918","4.9534","0.001","9.1796","0.0018","20.865","0.004","90","","93.9","0.03","90","","946.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cd N10 O4 -","- C16 H16 Cd N10 O4 -","- C32 H32 Cd2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0476","0.0365","","","0.066","0.0706","","","","","","1.135","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223919","10.487","0.002","23.35","0.005","8.3772","0.0017","90","","90","","90","","2051.3","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H16 N10 O4 Pb -","- C16 H16 N10 O4 Pb -","- C64 H64 N40 O16 Pb4 -","4","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0874","0.0508","","","0.0687","0.0794","","","","","","1.168","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223920","7.7702","0.0016","9.0412","0.0018","9.2461","0.0018","94.47","0.03","107.46","0.03","95.08","0.03","613.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0422","0.037","","","0.0791","0.082","","","","","","1.056","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223921","7.8231","0.0016","9.0961","0.0018","9.2962","0.0019","94.66","0.03","107.53","0.03","95.54","0.03","623.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0455","0.0396","","","0.0892","0.0927","","","","","","1.099","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223922","7.7318","0.0015","8.9961","0.0018","9.1815","0.0018","94.4","0.03","107.22","0.03","95.01","0.03","604.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0595","0.0486","","","0.1042","0.1105","","","","","","1.086","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223923","7.7881","0.0016","9.038","0.0018","9.1899","0.0018","94.47","0.03","107.49","0.03","95.27","0.03","610.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0484","0.041","","","0.0803","0.084","","","","","","1.064","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223924","30.8851","0.0018","17.4665","0.001","20.3272","0.0014","90","","127.705","0.006","90","","8675.7","1.2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H46 N14 O14 Zn2 -","- C62 H46 N14 O14 Zn2 -","- C248 H184 N56 O56 Zn8 -","4","0.5","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1326","0.1108","","","0.2973","0.3102","","","","","","1.105","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223925","10.882","0.003","11.386","0.003","20.627","0.005","100.75","0.02","103.307","0.016","103.024","0.018","2345.3","1.1","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N7 O6 Zn -","- C31 H21 N7 O6 Zn -","- C62 H42 N14 O12 Zn2 -","2","1","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1348","0.0806","","","0.2046","0.2256","","","","","","0.912","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223926","9.672","0.0009","13.729","0.001","13.997","0.001","94.881","0.004","102.916","0.003","101.498","0.003","1758.8","0.2","183.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu2 Dy N5 O20 -","- C28 H28 Cu2 Dy N5 O20 -","- C56 H56 Cu4 Dy2 N10 O40 -","2","1","","Gawai, U. P.; Khawal, H. A.; Shripathi, T.; Dole, B. N.","A study on the synthesis, pair distribution function and diverse properties of cobalt doped ZnS nanowires","CrystEngComm","2016","18","8","1439","","10.1039/C5CE02253C","","","0.7107","MoKα","","","0.0321","","","","0.0957","","","","","","1.001","","","","has coordinates","177758","2020-10-21","18:00:00",""
"7223939","5.779","0.002","6.031","0.002","12.318","0.004","90","","90","","90","","429.3","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.045","0.0421","","","0.0977","0.1012","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223940","5.7772","0.0015","6.035","0.0017","12.316","0.003","90","","90","","90","","429.4","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.1246","0.0991","","","0.2703","0.3083","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223958","11.9726","0.0005","9.2769","0.0004","11.5812","0.0005","90","","112.372","0.002","90","","1189.49","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","iodopentafluorobenzene and pyridine (1:1)","","- C11 H5 F5 I N -","- C11 H5 F5 I N -","- C44 H20 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0224","0.0204","","","0.0443","0.0457","","","","","","1.14","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223959","8.0031","0.0004","12.031","0.0006","13.4501","0.0006","90","","100.731","0.002","90","","1272.4","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene 3-methylpyridine","iodopentafluorobenzene and 3-methylpyridine (1:1)","","- C12 H7 F5 I N -","- C12 H7 F5 I N -","- C48 H28 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0174","0.0148","","","0.0353","0.0363","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223960","8.8544","0.0004","9.3356","0.0004","14.0154","0.0006","90","","101.478","0.001","90","","1135.36","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bromopentafluorobenzene pyridine","bromopentafluorobenzene and pyridine (1:1)","","- C11 H5 Br F5 N -","- C11 H5 Br F5 N -","- C44 H20 Br4 F20 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0199","0.0183","","","0.0481","0.0487","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223961","11.7434","0.0007","5.8599","0.0003","16.7329","0.001","90","","99.173","0.002","90","","1136.75","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene tetramethylethylenediamine","iodopentafluorobenzene and TMEDA (1:1)","","- C9 H8 F5 I N -","- C9 H8 F5 I N -","- C36 H32 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0189","0.0178","","","0.0379","0.0384","","","","","","1.175","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223962","6.5585","0.0012","7.047","0.0013","38.869","0.007","90","","90","","90","","1796.4","0.6","296","2","296","2","","","","","","","Biotogether","6","P 21 21 21","P 2ac 2ab","19","cAMPNa ; CYCLIC AMP SODIUM SALT;3',5'-CYCLIC AMP SODIUM SALT","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C10 H21 N5 Na O11 P -","- C10 H21 N5 Na O11 P -","- C40 H84 N20 Na4 O44 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0516","0.0499","","","0.1381","0.1397","","","","","","1.098","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223963","6.5021","0.001","7.0943","0.0011","39.198","0.006","90","","90","","90","","1808.1","0.5","296","2","296","2","","","","","","","nucleic acid degradation product","6","P 21 21 21","P 2ac 2ab","19","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C11 H21 N5 Na O10 P -","- C11 H21 N5 Na O10 P -","- C44 H84 N20 Na4 O40 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0505","0.048","","","0.1266","0.1279","","","","","","1.16","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223964","13.314","0.0011","9.7055","0.0008","7.0691","0.0009","90","","90","","90","","913.46","0.16","300","2","300","2","","","","","","","","4","P n n m","-P 2 2n","58","uranyl acrylate","","","- C6 H6 O6 U -","- C6 H6 O6 U -","- C24 H24 O24 U4 -","4","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.049","0.032","","","0.0686","0.0788","","","","","","1.047","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223965","19.5621","0.0008","19.5621","0.0008","8.7321","0.0009","90","","90","","120","","2893.9","0.3","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10.44 O8.22 U -","- C6 H10 O8.22333 U -","- C54 H90 O74.01 U9 -","9","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0467","0.0418","","","0.0951","0.1002","","","","","","1.065","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223966","11.6745","0.0018","12.4709","0.0004","16.003","0.002","90","","148.27","0.04","90","","1225.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O9 U -","- C6 H12 O9 U -","- C24 H48 O36 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.051","0.0353","","","0.0686","0.0773","","","","","","1.055","","","","has coordinates,has disorder","177744","2020-10-21","18:00:00",""
"7223967","10.7059","0.001","7.7322","0.0007","13.5945","0.0012","90","","107.093","0.002","90","","1075.65","0.17","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(acrylato-O,O')(diaqua)(dioxo)uranium(vi)","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C24 H40 O32 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0763","0.0226","","","0.0548","0.0855","","","","","","0.997","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223968","10.724","0.006","7.721","0.004","6.897","0.004","90","","107.246","0.009","90","","545.4","0.5","250","","250","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C12 H20 O16 U2 -","2","0.25","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0223","0.0223","","","0.0504","0.0504","","","","","","1.072","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223969","10.097","0.0009","12.8101","0.0011","10.9229","0.0011","90","","102.581","0.002","90","","1378.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O5 Zn -","- C11 H3 N5 O5 Zn -","- C44 H12 N20 O20 Zn4 -","4","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1359","0.0793","","","0.1628","0.2196","","","","","","1.044","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223970","10.4622","0.0009","7.187","0.0006","13.4544","0.0012","90","","112.694","0.002","90","","933.34","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H16 Cd2 N5 O8.5 -","- C9 H3 Cd2 N4 O7.5 -","- C18 H6 Cd4 N8 O15 -","2","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.0882","0.0642","","","0.1667","0.1811","","","","","","1.056","","","","has coordinates,has disorder","177764","2020-10-21","18:00:00",""
"7223971","19.571","0.002","11.0278","0.0009","13.2983","0.0012","90","","124.084","0.001","90","","2377.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Mn N4 Na O6 -","- C9 H7 Mn N4 Na O6 -","- C72 H56 Mn8 N32 Na8 O48 -","8","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1245","0.0657","","","0.1264","0.155","","","","","","1.065","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223972","7.3088","0.0008","10.1375","0.001","12.0815","0.0014","78.884","0.004","77.512","0.003","78.615","0.004","846.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","1","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","0.71073","MoKα","","0.0753","0.0705","","","0.1956","0.1982","","","","","","1.072","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223973","24.029","0.001","10.9805","0.0005","24.3497","0.001","90","","90","","90","","6424.7","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil Citrate (Viagra)","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methylpiperaziniumcitrate semihydrate","","- C28 H39 N6 O11.5 S -","- C28 H39 N6 O11.5 S -","- C224 H312 N48 O92 S8 -","8","1","","Abraham, Anuji; Apperley, David C.; Byard, Stephen J.; Ilott, Andrew J.; Robbins, Andrew J.; Zorin, Vadim; Harris, Robin K.; Hodgkinson, Paul","Characterising the role of water in sildenafil citrate by NMR crystallography","CrystEngComm","2016","18","6","1054","","10.1039/C5CE02234G","","","0.71073","Mo-Kα","","0.1071","0.0524","","","0.1263","0.1632","","","","","","0.991","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223974","9.3387","0.0002","13.9027","0.0004","16.555","0.0005","90","","90","","90","","2149.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1146","0.0638","","","0.0981","0.113","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223975","9.9411","0.0004","10.7606","0.0003","28.5926","0.0011","90","","90","","90","","3058.61","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dilteazem acetylsalicylate hydrate","","","- C31 H36 N2 O9 S -","- C31 H36 N2 O9 S -","- C124 H144 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.2268","0.0984","","","0.1185","0.1501","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223976","8.7897","0.0002","6.1726","0.0001","25.1531","0.0007","90","","91.5255","0.0011","90","","1364.21","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Diltiazem nicotinate","","","- C28 H31 N3 O6 S -","- C28 H31 N3 O6 S -","- C56 H62 N6 O12 S2 -","2","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.115","0.0642","","","0.1017","0.1187","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223977","5.8962","0.0001","9.032","0.0002","50.5074","0.001","90","","90","","90","","2689.75","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem L-Malate","","","- C26 H32 N2 O9 S -","- C26 H32 N2 O9 S -","- C104 H128 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1467","0.0637","","","0.1021","0.1238","","","","","","0.999","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223978","36.4984","0.0017","36.4984","0.0017","10.5148","0.0004","90","","90","","120","","12130.5","0.9","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C63.4 H52.8 N4 O2 Sn -","- C63.4 H52.8 N4 O2 Sn -","- C570.6 H475.2 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0539","0.0387","","","0.1236","0.1456","","","","","","1.09","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223979","36.626","0.002","36.626","0.002","10.4295","0.0008","90","","90","","120","","12116.4","1.3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H44 Br2 N4 O2 Sn -","- C60 H44 Br2 N4 O2 Sn -","- C540 H396 Br18 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0753","0.0463","","","0.1348","0.1663","","","","","","1.126","","","","has coordinates","177766","2020-10-21","18:00:00",""
"7223980","37.09","0.002","37.09","0.002","10.1013","0.0006","90","","90","","120","","12034.3","1.2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H44 N6 O6 Sn -","- C60 H44 N6 O6 Sn -","- C540 H396 N54 O54 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.1133","0.0711","","","0.2089","0.2417","","","","","","1.458","","","","has coordinates,has disorder","177766","2020-10-21","18:00:00",""
"7223981","24.811","0.001","24.811","0.001","21.455","0.002","90","","90","","120","","11437.9","1.2","150","2","150.15","","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C432 H258 Co18 N36 O78 -","6","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0571","0.038","","","0.0826","0.0914","","","","","","1.052","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223982","20.186","0.001","20.186","0.001","20.2891","0.0008","90","","90","","120","","7159.7","0.6","150","2","150.15","","","","","","","","","5","R 3","R 3","146","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C216 H129 Co9 N18 O39 -","3","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0535","0.0502","","","0.1258","0.1282","","","","","","1.059","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223983","27.3444","0.0008","27.3444","0.0008","71.115","0.002","90","","90","","120","","46050","2","150","2","150.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C72 H43 Co3 N30 O -","- C72 H43 Co3 N30 O -","- C864 H516 Co36 N360 O12 -","12","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.1062","0.0727","","","0.2478","0.2902","","","","","","1.031","","","","has coordinates,has disorder","185174","2020-10-21","18:00:00",""
"7223984","16.679","0.003","16.679","0.003","17.674","0.003","90","","90","","90","","4916.7","1.5","103","","103","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C60 H24 N8 O8 Zn3 -","- C60 H24 N8 O8 Zn3 -","- C120 H48 N16 O16 Zn6 -","2","0.0625","","Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku","Control of local structures and photophysical properties of zinc porphyrin-based supramolecular assemblies structurally organized by regioselective ligand coordination.","Physical chemistry chemical physics : PCCP","2016","18","7","5453","5463","10.1039/c5cp07110k","","","0.71075","MoKα","","","0.0889","","","","0.2511","","","","","","1.14","","","","has coordinates","177934","2020-10-21","18:00:00",""
"7223985","13.3203","0.0009","4.8791","0.0003","19.8516","0.0014","90","","100.245","0.006","90","","1269.61","0.15","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Perfluoronaphthalene","Octafluoronaphthalene","","- C10 F8 -","- C10 F8 -","- C60 F48 -","6","1.5","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0388","0.0256","","","0.0637","0.0663","","","","","","0.934","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223986","9.7244","0.0012","7.1739","0.0008","18.2816","0.0017","90","","98.317","0.009","90","","1261.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Perchloronaphthalene","Octachloronaphthalene","","- C10 Cl8 -","- C10 Cl8 -","- C40 Cl32 -","4","1","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0301","0.0197","","","0.0252","0.0257","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223987","11.3832","0.0004","7.8114","0.0003","16.5506","0.0006","90","","90","","90","","1471.66","0.09","100","2","100","2","","","","","","","","2","P b c n","-P 2n 2ab","60","Perbromonaphthalene","Octabromonaphthalene","","- C10 Br8 -","- C10 Br8 -","- C40 Br32 -","4","0.5","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0148","0.0109","","","0.0223","0.0227","","","","","","0.864","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7223988","7.1558","0.0005","9.5084","0.0006","12.4684","0.0008","75.854","0.005","82.701","0.006","87.954","0.005","815.95","0.1","100","2","100","2","","","","","","","","2","P -1","-P 1","2","Perchloroanthracene","Decachloroanthracene","","- C14 Cl10 -","- C14 Cl10 -","- C28 Cl20 -","2","1","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0392","0.0271","","","0.066","0.0678","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224001","14.0134","0.0007","14.8016","0.0007","15.2457","0.0006","105.689","0.005","113.922","0.004","103.178","0.005","2570","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","1","0.5","","Yang, Fei; Deng, Yong-Kai; Guo, Ling-Yu; Su, Hai-Feng; Jagličić, Zvonko; Feng, Zhen-Yu; Zhuang, Gui-Lin; Zeng, Su-Yuan; Sun, Di","Structural, electrochemical and magnetic analyses of a new octanuclear MnIII2MnII6cluster with linked-defect cubane topology","CrystEngComm","2016","18","8","1329","","10.1039/C5CE02215K","","","1.54178","CuKα","","0.0935","0.0534","","","0.1121","0.1249","","","","","","0.888","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224002","8.127","0.003","15.764","0.011","8.041","0.003","90","","111.816","0.009","90","","956.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuClTAA3BP","","","- C7 H9 Cl Cu N2 S -","- C7 H9 Cl Cu N2 S -","- C28 H36 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0362","0.0264","","","0.0627","0.0674","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224003","8.8605","0.0002","9.6615","0.0002","11.7506","0.0002","66.423","0.001","82.85","0.001","78.316","0.001","901.79","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","CuClTAA/44bp","","","- C14 H18 Cl Cu N4 S2 -","- C14 H18 Cl Cu N4 S2 -","- C28 H36 Cl2 Cu2 N8 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0351","0.0272","","","0.0886","0.1089","","","","","","1.006","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224004","21.7441","0.0008","9.8378","0.0005","16.9298","0.0008","90","","90.766","0.002","90","","3621.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuBrbp","","","- C14 H18 Br Cu N4 S2 -","- C14 H18 Br Cu N4 S2 -","- C112 H144 Br8 Cu8 N32 S16 -","8","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0415","0.0251","","","0.0691","0.0886","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224005","21.91","0.003","9.9443","0.0015","16.891","0.003","90","","90.414","0.007","90","","3680.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuITAbp","","","- C28 H36 Cu2 I2 N8 S4 -","- C28 H36 Cu2 I2 N8 S4 -","- C112 H144 Cu8 I8 N32 S16 -","4","0.5","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0224","0.0184","","","0.0582","0.0703","","","","","","1.001","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224006","7.9771","0.0001","10.673","0.0001","8.921","0.0001","90","","97.182","0.001","90","","753.571","0.015","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CuClpyz","","","- C4 H7 Cl Cu N2 S -","- C4 H7 Cl Cu N2 S -","- C16 H28 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0197","0.0187","","","0.052","0.0527","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224007","7.4292","0.0002","8.0762","0.0002","9.614","0.0002","107.059","0.001","90.971","0.001","110.972","0.001","510.1","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","JA315b","","","- C4 H10 Cu I N2 S2 -","- C4 H10 Cu I N2 S2 -","- C8 H20 Cu2 I2 N4 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0221","0.0199","","","0.0503","0.0516","","","","","","1.004","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224008","13.8935","0.0005","14.0662","0.0008","18.2195","0.0011","108.577","0.002","110.263","0.003","97.592","0.003","3046.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 N8 Ni O21 S3 U2 -","- C53 H40 N8 Ni O20.9999 S3 U2 -","- C106 H80 N16 Ni2 O41.9998 S6 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0511","0.0333","","","0.0881","0.0934","","","","","","1.056","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224009","10.8016","0.0004","20.409","0.0008","12.8547","0.0005","90","","105.973","0.002","90","","2724.41","0.18","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H56 Cl Co N8 O26 S4 U2 -","- C38 H50 Cl Co N8 O26 S4 U2 -","- C76 H100 Cl2 Co2 N16 O52 S8 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0386","0.0338","","","0.1163","0.1194","","","","","","1.071","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224010","13.7311","0.0008","15.5105","0.0009","17.8862","0.0009","68.574","0.003","70.094","0.003","76.948","0.003","3311.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0648","0.0519","","","0.1371","0.1436","","","","","","1.027","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224011","13.7804","0.0003","15.5944","0.0003","18.0932","0.0004","67.6388","0.0009","69.388","0.0009","76.7394","0.0011","3345.09","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0746","0.0685","","","0.1862","0.1898","","","","","","1.096","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224012","26.1007","0.0003","26.1007","0.0003","6.695","0.0002","90","","90","","90","","4560.95","0.16","150","2","150","2","","","","","","","","7","P 42/n m c","-P 4ac 2a","137","","","","- C30 H26 Ag2 N6 O17 S3 U2 -","- C30 H24 Ag2 N6 O17 S3 U2 -","- C120 H96 Ag8 N24 O68 S12 U8 -","4","","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0462","0.0393","","","0.0993","0.1023","","","","","","1.073","","","","has coordinates,has disorder","177763","2020-10-21","18:00:00",""
"7224013","18.4849","0.0002","26.8834","0.0006","31.5917","0.0008","90","","90","","90","","15699.1","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C136 H104 Ag5 N21 O41 S6 U4 -","- C136 H96 Ag5 N21 O41 S6 U4 -","- C544 H384 Ag20 N84 O164 S24 U16 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0592","0.0446","","","0.1066","0.1107","","","","","","1.025","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224021","15.513","0.002","15.513","0.002","26.445","0.004","90","","90","","90","","6364.1","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 K O15 Tb -","- C28 H18 K O14 Tb -","- C224 H144 K8 O112 Tb8 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1178","0.0719","","","0.205","0.2427","","","","","","0.953","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224022","15.322","0.002","15.322","0.002","26.327","0.004","90","","90","","90","","6180.6","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 Dy K O15 -","- C28 H20 Dy K0.805 O14 -","- C224 H160 Dy8 K6.44 O112 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1078","0.0822","","","0.2537","0.3021","","","","","","1.059","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224023","20.15","0.05","30.14","0.07","11.69","0.03","90","","90","","90","","7100","3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 K O28 Tb3 -","- C59 H38 K O28 Tb3 -","- C236 H152 K4 O112 Tb12 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1133","0.0609","","","0.1437","0.169","","","","","","1.001","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224024","19.1","0.003","28.26","0.004","11.1446","0.0019","90","","90","","90","","6015.5","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 Dy3 K O28 -","- C59 H38 Dy3 K O28 -","- C236 H152 Dy12 K4 O112 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1007","0.0587","","","0.1349","0.1544","","","","","","1.048","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224025","8.2616","0.0005","11.0442","0.0007","11.8712","0.0007","69.313","0.004","76.743","0.004","71.691","0.004","953.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","E,E-N3,N3'-Bis(2-hydroxybenzylidene)-(2,2'-bipyridine)-3,3'-diamine","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0836","0.0518","","","0.1435","0.1585","","","","","","1.376","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224026","8.3486","0.0014","27.473","0.005","11.3936","0.0017","90","","93.665","0.004","90","","2607.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]tin(iV) tetrachloride.2C2H5OH","","- C21 H26 Cl4 N4 O3 Sn -","- C21 H26 Cl4 N4 O3 Sn -","- C84 H104 Cl16 N16 O12 Sn4 -","4","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0731","0.0533","","","0.1327","0.1478","","","","","","1.156","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224027","15.2508","0.001","23.2887","0.0016","12.9853","0.0008","90","","90","","90","","4612","0.5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine][salicylaldehydo]copper(II) perchlorate dimer methanol solvate","","- C49 H42 Cl2 Cu2 N8 O15 -","- C49 H42 Cl2 Cu2 N8 O15 -","- C196 H168 Cl8 Cu8 N32 O60 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0619","0.0399","","","0.0959","0.1077","","","","","","1.033","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224028","9.441","0.0005","10.9557","0.0006","10.9598","0.0006","64.848","0.003","88.44","0.004","72.81","0.003","973.92","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]manganese(II)dichloride dimer","","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","1","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0448","0.0334","","","0.0784","0.0846","","","","","","1.026","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224029","13.163","0.003","19.772","0.005","13.268","0.002","90","","92.198","0.007","90","","3450.6","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(2-(3!-amino-2,2-bipyridin-3-imino)phenoxide)iron(III)] chlorideacetonitrile solvate","","- C38 H32 Cl Fe N10 O2 -","- C38 H32 Cl Fe N10 O2 -","- C152 H128 Cl4 Fe4 N40 O8 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0745","0.042","","","0.0898","0.1016","","","","","","0.997","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224030","13.0767","0.0008","13.4441","0.0008","14.3843","0.0008","100.563","0.002","107.325","0.002","98.963","0.003","2312.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 Fe2 N10 O5 -","- C52 H38 Fe2 N10 O5 -","- C104 H76 Fe4 N20 O10 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0852","0.0719","","","0.1842","0.199","","","","","","1.266","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224040","13.0629","0.0004","7.837","0.0002","11.6838","0.0003","90","","90","","90","","1196.12","0.06","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0884","0.0873","","","0.2236","0.2244","","","","","","1.052","","","","has coordinates,has disorder","301865","2025-08-22","16:16:50",""
"7224041","13.231","0.01","7.883","0.007","11.786","0.01","90","","90","","90","","1229.3","1.8","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0424","0.0415","","","0.1182","0.1192","","","","","","1.02","","","","has coordinates,has disorder","301865","2025-08-22","16:16:50",""
"7224042","13.357","0.01","8.073","0.007","11.836","0.01","90","","90","","90","","1276.3","1.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0375","0.0337","","","0.0818","0.0841","","","","","","1.026","","","","has coordinates,has disorder","301865","2025-08-22","16:16:50",""
"7224043","13.296","0.01","8.069","0.006","11.772","0.009","90","","90","","90","","1263","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0565","0.0553","","","0.1263","0.127","","","","","","1.173","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224044","20.7414","0.0014","32.981","0.002","9.7539","0.0007","90","","90","","90","","6672.4","0.8","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C72 H60 Cl4 Mn O4 P4 Zn -","- C72 H60 Cl4 Mn O4 P4 Zn -","- C288 H240 Cl16 Mn4 O16 P16 Zn4 -","4","0.25","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0253","0.0243","","","0.0665","0.0671","","","","","","1.074","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224045","20.718","0.005","33.018","0.005","9.751","0.005","90","0.005","90","0.005","90","0.005","6670","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 O2 P2 Zn -","- C36 H30 Cl2 O2 P2 Zn -","- C288 H240 Cl16 O16 P16 Zn8 -","8","0.5","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0214","0.0203","","","0.0555","0.0559","","","","","","1.052","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224048","13.876","0.002","12.212","0.002","7.7376","0.0015","90","","104.205","0.018","90","","1271.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C52 H28 Co4 N4 O24 -","4","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.1275","0.0896","","","0.2021","0.2257","","","","","","1.102","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224049","6.4032","0.0003","7.7936","0.0003","12.7782","0.0006","74.095","0.004","83.775","0.004","84.04","0.004","607.82","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C26 H22 Co2 N2 O12 -","2","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0402","0.0332","","","0.0766","0.0804","","","","","","1.066","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224050","6.4023","0.0003","16.0344","0.0006","25.698","0.001","106.588","0.001","96.084","0.001","92.993","0.001","2504.62","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C104 H56 Co8 N8 O48 -","8","4","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0636","0.0483","","","0.1313","0.1419","","","","","","1.063","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224059","28.77","0.03","8.771","0.008","10.211","0.001","90","","108.17","0.03","90","","2448","3","100","2","100","2","","","","","","","Aspergillus niger","4","C 1 2/c 1","-C 2yc","15","Nigerloxin dioxane water solvate","Nigerloxin dioxane water solvate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C96 H104 N8 O56 -","8","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.087","0.0636","","","0.1703","0.205","","","","","","1.105","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224060","11.277","0.004","8.788","0.003","9.851","0.004","90","","96.003","0.007","90","","970.9","0.6","100","2","100","2","","","","","","","Aspergillus niger","4","P 1 21/c 1","-P 2ybc","14","Nigerloxin monohydrate","Nigerloxin monohydrate","","- C10 H9 N O6 -","- C10 H9 N O6 -","- C40 H36 N4 O24 -","4","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.0567","0.037","","","0.0867","0.0926","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224061","8.4061","0.0012","8.6026","0.0012","12.582","0.002","91.647","0.005","102.618","0.005","112.149","0.004","816.1","0.2","0","2","0","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Wang, Kuai; Meng, Ling-Guo; Zhang, Qi; Wang, Lei","Direct construction of 4-aryl tetralones via visible-light-induced cyclization of styrenes with molecular oxygen","Green Chem.","2016","18","9","2864","","10.1039/C5GC02550H","","","0.71073","MoKα","","0.0642","0.0568","","","0.1689","0.182","","","","","","0.999","","","","has coordinates","301865","2025-08-22","16:16:50",""
"7224069","42.6717","0.0011","26.3547","0.0007","33.6116","0.0009","90","","113.576","0.001","90","","34644.5","1.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13FH6NO4]4}","","","- C216 H212 Cl4 Co16 F4 N4 O44 S16 -","- C216 H194 Cl4 Co16 F4 N4 O44 S16 -","- C864 H776 Cl16 Co64 F16 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0744","0.0638","","","0.1492","0.1543","","","","","","1.099","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224070","30.146","0.0005","30.146","0.0005","21.5634","0.0005","90","","90","","90","","19596.4","0.6","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13FH6NO4]8}","","","- C264 H224 Cl4 Co16 F8 N8 O48 S16 -","- C264 H56 Cl4 Co16 F8 N8 O48 S16 -","- C528 H112 Cl8 Co32 F16 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0908","0.0857","","","0.2686","0.278","","","","","","1.133","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224071","42.516","0.002","28.4143","0.0014","33.6347","0.0017","90","","111.972","0.002","90","","37682","3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13H7NO4]4}","","","- C216 H216 Cl4 Co16 N4 O44 S16 -","- C216 H204 Cl4 Co16 N4 O44 S16 -","- C864 H816 Cl16 Co64 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0864","0.0675","","","0.1865","0.1967","","","","","","1.051","","","","has coordinates","185188","2020-10-21","18:00:00",""
"7224072","30.163","0.0003","30.163","0.0003","21.6122","0.0004","90","","90","","90","","19662.9","0.5","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13H7NO4]8}","","","- C264 H232 Cl4 Co16 N8 O48 S16 -","- C264 H56 Cl4 Co16 N8 O48 S16 -","- C528 H112 Cl8 Co32 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.1157","0.1102","","","0.3034","0.311","","","","","","1.111","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224073","21.0408","0.0013","21.0408","0.0013","21.0408","0.0013","90","","90","","90","","9315.1","1","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H432 Cl18 La12 N24 Ni15 O276 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0644","0.0637","","","0.1716","0.1724","","","","","","1.036","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224074","20.9271","0.0003","20.9271","0.0003","20.9271","0.0003","90","","90","","90","","9164.9","0.2","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H460 Cl18 Gd12 N24 Ni15 O290 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.2181","0.1069","","","0.2436","0.2964","","","","","","1.042","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224075","18.7646","0.0007","9.0729","0.0002","18.6765","0.0007","90","","116.804","0.004","90","","2838.02","0.19","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl La N2 Ni O21 -","- C14 H28 Cl La N2 Ni O21 -","- C56 H112 Cl4 La4 N8 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0387","0.0319","","","0.0873","0.0894","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224076","18.633","0.0009","8.9756","0.0004","18.637","0.0009","90","","116.699","0.003","90","","2784.6","0.2","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Cl N2 Nd Ni O21 -","- C14 H18 Cl N2 Nd Ni O21 -","- C56 H72 Cl4 N8 Nd4 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0358","0.0314","","","0.077","0.0786","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224077","9.2011","0.0018","12.234","0.002","12.51","0.003","85.62","0.03","80.05","0.03","68.91","0.03","1294","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d–4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0259","0.0236","","","0.0563","0.0572","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224078","9.1672","0.0018","12.17","0.002","12.442","0.003","85.92","0.03","79.65","0.03","68.68","0.03","1272","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0355","0.0316","","","0.0824","0.0985","","","","","","1.156","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224079","7.558","0.002","11.269","0.003","15.561","0.004","100.694","0.005","103.838","0.004","105.732","0.005","1193.4","0.5","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H34 Cl Dy N2 Ni O16 -","- C14 H34 Cl Dy N2 Ni O16 -","- C28 H68 Cl2 Dy2 N4 Ni2 O32 -","2","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0288","0.0277","","","0.0695","0.0702","","","","","","1.093","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224080","28.11","0.004","13.7799","0.0016","14.3362","0.0017","90","","100.267","0.003","90","","5464.3","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Eu N7 O9 -","- C21 H19 Eu N7 O9 -","- C168 H152 Eu8 N56 O72 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0871","0.0602","","","0.1595","0.1744","","","","","","1.08","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224081","28.282","0.004","13.564","0.0018","14.509","0.002","90","","100.155","0.003","90","","5478.7","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N7 O9 Tb -","- C21 H19 N7 O9 Tb -","- C168 H152 N56 O72 Tb8 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0736","0.051","","","0.139","0.1527","","","","","","1.056","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224082","5.8278","0.0004","10.3521","0.0006","10.4775","0.0006","90","","102.948","0.007","90","","616.04","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Na2 O8 Sb -","- B3 Na2 O8 Sb -","- B12 Na8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0404","0.0336","","","0.0724","0.0762","","","","","","1.004","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224083","5.9013","0.0007","11.0876","0.001","10.9497","0.0012","90","","103.218","0.007","90","","697.47","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 K2 O8 Sb -","- B3 K2 O8 Sb -","- B12 K8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0282","0.0251","","","0.0691","0.0723","","","","","","0.944","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224084","5.9381","0.0006","11.2928","0.0005","11.3181","0.0015","90","","103.754","0.015","90","","737.2","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 O8 Rb2 Sb -","- B3 O8 Rb2 Sb -","- B12 O32 Rb8 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0294","0.0267","","","0.0649","0.066","","","","","","1.115","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224085","11.7148","0.0014","7.1633","0.0006","7.4109","0.0008","90","","125.435","0.01","90","","506.71","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B2 O6 Rb Sb -","- B2 O6 Rb Sb -","- B8 O24 Rb4 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0403","0.035","","","0.0812","0.0851","","","","","","1.041","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224086","24.6165","0.0009","35.8569","0.0015","30.2783","0.0012","90","","90","","90","","26725.8","1.8","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H42 Co7 N6 O35 -","- C54 H42 Co7 N6 O35 -","- C432 H336 Co56 N48 O280 -","8","0.5","","Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li","A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake","CrystEngComm","2016","18","10","1768","","10.1039/C5CE02270C","","","0.71073","MoKα","","0.1094","0.0816","","","0.23","0.2494","","","","","","0.998","","","","has coordinates","177748","2020-10-21","18:00:00",""
"7224087","5.1749","0.0002","7.2736","0.0003","9.1901","0.0004","108.304","0.002","105.213","0.002","92.434","0.002","313.95","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","zinc maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-zinc(ii)","","- C8 H14 O12 Zn -","- C8 H14 O12 Zn -","- C8 H14 O12 Zn -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.029","0.026","","","0.0616","0.063","","","","","","1.145","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224088","5.142","0.0003","7.2793","0.0004","9.1121","0.0005","108.025","0.003","105.191","0.003","92.14","0.003","310.38","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","nickel maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-nickel(ii)","","- C8 H14 Ni O12 -","- C8 H14 Ni O12 -","- C8 H14 Ni O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0398","0.0321","","","0.0722","0.0751","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224089","5.1742","0.0003","7.2742","0.0004","9.2053","0.0005","108.809","0.002","105.003","0.002","92.409","0.003","313.79","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","cobalt maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-cobalt(ii)","","- C8 H14 Co O12 -","- C8 H14 Co O12 -","- C8 H14 Co O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0362","0.0269","","","0.0565","0.0597","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224090","5.2115","0.0002","7.3307","0.0003","9.2529","0.0004","109.019","0.002","105.339","0.002","92.53","0.002","318.98","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","iron maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-iron(ii)","","- C8 H14 Fe O12 -","- C8 H14 Fe O12 -","- C8 H14 Fe O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0494","0.0374","","","0.0715","0.0757","","","","","","1.089","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224091","5.2823","0.0002","7.3398","0.0003","9.3651","0.0003","109.765","0.002","105.152","0.002","92.454","0.002","326.37","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","manganese maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-manganese(ii)","","- C8 H14 Mn O12 -","- C8 H14 Mn O12 -","- C8 H14 Mn O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0185","0.0166","","","0.0411","0.0421","","","","","","1.067","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224101","13.6094","0.0004","20.4337","0.0005","17.9312","0.0006","90","","108.986","0.004","90","","4715.2","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(2,2'-bipyridine-N,N')-Dysprosium(III)","","- C40 H38 Dy F21 N2 O6 -","- C40 H38 Dy F21 N2 O6 -","- C160 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0581","0.0443","","","0.1105","0.122","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224102","14.0899","0.0003","19.8329","0.0003","17.4263","0.0003","90","","102.091","0.002","90","","4761.64","0.15","119.96","0.11","119.96","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(1,10-phenanthroline-N,N')-Dysprosium(III)","","- C42 H38 Dy F21 N2 O6 -","- C42 H38 Dy F21 N2 O6 -","- C168 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0945","0.0678","","","0.1776","0.2076","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224103","20.892","0.01","24.47","0.011","25.238","0.011","90","","90","","90","","12902","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H12 Br4 O16 Zn3 -","- C32 H12 Br4 O16 Zn3 -","- C256 H96 Br32 O128 Zn24 -","8","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.126","0.0803","","","0.2071","0.2324","","","","","","0.958","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224104","14.0217","0.0002","31.3444","0.0005","27.9952","0.0004","90","","90","","90","","12303.9","0.3","223","2","223","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H18 Br2 N2 O8 Zn2 -","- C28 H18 Br2 N2 O8 Zn2 -","- C448 H288 Br32 N32 O128 Zn32 -","16","2","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","1.54184","CuKα","","0.1382","0.1373","","","0.3158","0.3162","","","","","","1.137","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224105","12.882","0.005","14.292","0.006","16.936","0.008","110.255","0.009","99.167","0.011","106.39","0.009","2690","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","1","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.2034","0.1636","","","0.4142","0.4428","","","","","","1.47","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224106","12.5013","0.0005","14.5412","0.0005","8.2241","0.0003","90","","104.849","0.0009","90","","1445.08","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 O14 Zn2 -","- C28 H22 N4 O14 Zn2 -","- C56 H44 N8 O28 Zn4 -","2","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0242","0.022","","","0.0629","0.0641","","","","","","1.017","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224107","8.5151","0.0006","10.0658","0.0007","11.9929","0.0008","67.113","0.002","88.027","0.002","76.771","0.002","920.16","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd N3 O8 -","- C16 H16 Cd N3 O8 -","- C32 H32 Cd2 N6 O16 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0638","0.0651","","","","","","1.06","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224108","9.946","0.004","9.946","0.004","31.544","0.013","90","","90","","90","","3120","2","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C15 H11 N O4 Zn -","- C15 H11 N O4 Zn -","- C120 H88 N8 O32 Zn8 -","8","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0359","0.0282","","","0.0631","0.0678","","","","","","1.07","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224109","9.919","0.006","16.851","0.01","10.145","0.006","90","","93.18","0.011","90","","1693.1","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 O12 Zn2 -","- C28 H36 N4 O12 Zn2 -","- C56 H72 N8 O24 Zn4 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.1087","0.0651","","","0.1509","0.1771","","","","","","0.977","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224110","20.941","0.004","8.9021","0.0018","15.065","0.003","90","","117.91","0.03","90","","2481.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O8 Zn -","- C28 H22 N2 O8 Zn -","- C112 H88 N8 O32 Zn4 -","4","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0447","0.0402","","","0.1043","0.1081","","","","","","1.063","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224111","8.2249","0.0016","9.8672","0.0019","11.221","0.002","68.441","0.003","68.947","0.004","66.741","0.003","753.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N O5 Zn -","- C15 H14 N O5 Zn -","- C30 H28 N2 O10 Zn2 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0616","0.0536","","","0.1546","0.1654","","","","","","1.09","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224112","11.2042","0.0013","14.7102","0.0017","9.5638","0.0011","90","","90","","90","","1576.3","0.3","296","2","296","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C8 H37 Cu4 N8 Na0 Nb3 O22 W3 -","- C8 H32 Cu4 N8 Nb3 O21 W3 -","- C16 H64 Cu8 N16 Nb6 O42 W6 -","2","0.25","","Jin, Lu; Li, Xin-Xiong; Zhao, Dan; Li, Hao-Hong; Zheng, Shou-Tian","A rare polyniobotungstate-based framework and its structural transformation in a single-crystal-to-single-crystal process induced by iodide ions","CrystEngComm","2016","18","10","1705","","10.1039/C5CE02443A","","","0.71073","MoKα","","0.0537","0.0506","","","0.1317","0.1525","","","","","","1.357","","","","has coordinates","177750","2020-10-21","18:00:00",""
"7224113","7.5292","0.0005","5.7936","0.0003","13.9668","0.0009","90","","93.766","0.004","90","","607.93","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","An efficient synthesis of N-nitrosamines under solvent, metal and acid free conditions using tert-butyl nitrite","Green Chem.","2016","18","8","2323","","10.1039/C5GC02880A","","","0.71073","MoKα","","0.0381","0.0299","","","0.0652","0.0712","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224120","24.5154","0.0014","24.5154","0.0014","76.118","0.004","90","","90","","90","","45747","4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C108 H150 Ag6 N30 O21 -","- C108 H144 Ag6 N30 O21 -","- C1728 H2304 Ag96 N480 O336 -","16","2","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0487","0.0357","","","0.0693","0.0739","","","","","","1.019","","","","has coordinates,has disorder","181605","2020-10-21","18:00:00",""
"7224121","10.4951","0.0007","8.104","0.0005","18.3689","0.0011","90","","90","","90","","1562.32","0.17","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-Pyrrolidine-1-yl-pyridine","","","- C9 H12 N2 -","- C9 H12 N2 -","- C72 H96 N16 -","8","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0439","0.0369","","","0.093","0.1006","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224122","11.3787","0.001","8.1171","0.0007","21.41","0.002","90","","95.969","0.006","90","","1966.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag Cl N4 O4 -","- C18 H24 Ag Cl N4 O4 -","- C72 H96 Ag4 Cl4 N16 O16 -","4","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.092","0.0488","","","0.1061","0.1252","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224123","14.582","0.002","22.199","0.003","11.3662","0.0016","90","","90","","90","","3679.3","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","C32H33B2CoF8N11","","","- C32 H33 B2 Co F8 N11 -","- C32 H33 B2 Co F8 N11 -","- C128 H132 B8 Co4 F32 N44 -","4","0.5","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0668","0.0579","","","0.1688","0.1779","","","","","","1.058","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224124","13.8571","0.0007","16.6586","0.0008","19.6933","0.0009","68.138","0.001","88.062","0.002","88.016","0.002","4215.5","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","C41H41.99B2CoF8N12","","","- C41 H41.99 B2 Co F8 N12 -","- C40.9975 H41.995 B2 Co F8 N12 -","- C163.99 H167.98 B8 Co4 F32 N48 -","4","2","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.1144","0.0757","","","0.1654","0.1812","","","","","","1.08","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224125","9.7431","0.0011","12.2307","0.0014","14.5005","0.0017","95.953","0.002","107.564","0.002","99.913","0.002","1600.4","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","C29H30B2CoF8N10O","","","- C29 H30 B2 Co F8 N10 O -","- C29 H30 B2 Co F8 N10 O -","- C58 H60 B4 Co2 F16 N20 O2 -","2","1","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0763","0.0502","","","0.1281","0.149","","","","","","1.025","","","","has coordinates,has disorder","185166","2020-10-21","18:00:00",""
"7224126","9.415","0.005","10.117","0.005","14.657","0.005","85.815","0.005","74.704","0.005","70.067","0.005","1265.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C54 H40 N4 O12 Zn2 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0629","0.0505","","","0.1169","0.1315","","","","","","1.073","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224127","11.106","0.005","15.856","0.005","17.853","0.005","82.222","0.005","88.158","0.005","88.201","0.005","3112.2","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C108 H80 N8 O24 Zn4 -","4","2","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0743","0.0601","","","0.1561","0.1613","","","","","","1.048","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224128","10.972","0.005","16.101","0.005","37.978","0.005","90","","90","","90","","6709","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H33 N5 O7 Zn -","- C35 H33 N5 O7 Zn -","- C280 H264 N40 O56 Zn8 -","8","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.121","0.0729","","","0.1775","0.216","","","","","","1.014","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224129","9.502","0.005","11.646","0.005","13.277","0.005","84.836","0.005","73.449","0.005","84.18","0.005","1398.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Cd N3 O8 -","- C30 H29 Cd N3 O8 -","- C60 H58 Cd2 N6 O16 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0434","0.0385","","","0.0948","0.1016","","","","","","1.078","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224130","9.5536","0.0011","28.335","0.004","10.1074","0.0012","90","","107.415","0.003","90","","2610.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H20 Co N2 O6 -","- C27 H20 Co N2 O6 -","- C108 H80 Co4 N8 O24 -","4","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0539","0.05","","","0.1346","0.1377","","","","","","1.051","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224131","13.1143","0.0006","18.2637","0.0008","18.1148","0.0009","90","","91.971","0.001","90","","4336.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Co3 N8 O18 -","- C66 H54 Co3 N8 O18 -","- C132 H108 Co6 N16 O36 -","2","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0908","0.0579","","","0.1423","0.1528","","","","","","1.005","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224132","14.1458","0.0004","7.2193","0.0002","17.4712","0.0004","90","","98.5591","0.0013","90","","1764.34","0.08","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3phenyl diacid","2',5'-dihexyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid","","- C36 H50 O6 S2 -","- C36 H50 O6 S2 -","- C72 H100 O12 S4 -","2","0.5","","Bowen, Alice M.; Jones, Michael W.; Lovett, Janet E.; Gaule, Thembanikosi G.; McPherson, Michael J.; Dilworth, Jonathan R.; Timmel, Christiane R.; Harmer, Jeffrey R.","Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres.","Physical chemistry chemical physics : PCCP","2016","18","8","5981","5994","10.1039/c5cp06096f","","","0.71073","MoKα","","0.0746","0.0478","","0.1267","0.1143","0.1099","","","","","","1.0027","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224138","5.331","0.003","15.551","0.009","4.782","0.003","90","","90","","90","","396.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Al Li3 O5 Si -","- Al Li3 O5 Si -","- Al4 Li12 O20 Si4 -","4","1","","Chen, Xinglong; Zhang, Fangfang; Liu, Lili; Lei, Bing-Hua; Dong, Xiaoyu; Yang, Zhihua; Li, Hongyi; Pan, Shilie","Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure.","Physical chemistry chemical physics : PCCP","2016","18","6","4362","4369","10.1039/c5cp06884c","","","0.71073","MoKα","","0.0378","0.0287","","","0.0667","0.0725","","","","","","1.031","","","","has coordinates","175855","2020-10-21","18:00:00",""
"7224152","14.75","0.01","9.887","0.01","8.419","0.007","90","","90","","90","","1227.8","1.8","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.25","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0585","0.0556","","","0.1348","0.1372","","","","","","1.077","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224153","14.674","0.009","9.779","0.006","8.412","0.005","90","","90","","90","","1207.1","1.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","1","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0393","0.0366","","","0.0806","0.0822","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224154","14.7","0.013","9.771","0.008","8.414","0.007","90","","90","","90","","1208.5","1.8","143","2","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.5","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0386","0.0374","","","0.0885","0.0893","","","","","","1.086","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224155","7.48","0.0015","23.63","0.005","12.47","0.003","90","","98.05","0.03","90","","2182.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cu4 N4 O15 -","- C50 H34 Cu4 N4 O15 -","- C100 H68 Cu8 N8 O30 -","2","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0988","0.0839","","","0.2165","0.2322","","","","","","1.076","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224156","7.8383","0.0006","9.4782","0.0006","14.9216","0.0013","91.826","0.006","95.897","0.006","103.056","0.006","1072.46","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","1","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0803","0.0504","","","0.1071","0.1221","","","","","","1.007","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224157","11.598","0.002","19.518","0.004","15.301","0.003","90","","91.47","0.03","90","","3462.5","1.2","153.15","","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H100 N4 O21 V6 -","- C56 H100 N4 O21 V6 -","- C112 H200 N8 O42 V12 -","2","0.5","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0475","0.0431","","","0.101","0.104","","","","","","1.11","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224158","10.381","0.002","12.311","0.003","9.6175","0.0019","90","","104.2","0.03","90","","1191.6","0.5","296","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H26 N2 O23 V6 -","- C8 H26 N2 O23 V6 -","- C16 H52 N4 O46 V12 -","2","0.25","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0297","0.0281","","","0.0767","0.0776","","","","","","1.128","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224168","25.151","0.003","10.4057","0.0013","30.589","0.005","90","","113.035","0.002","90","","7367.2","1.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H56 N11 O35 Zn4 -","- C67 H38 N11 O26 Zn4 -","- C268 H152 N44 O104 Zn16 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.1346","0.0849","","","0.23","0.256","","","","","","1.035","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224169","21.687","0.003","18.249","0.002","22.474","0.004","90","","118.15","0.002","90","","7842","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 N12 Ni3 O28 -","- C72 H46 N12 Ni3 O26 -","- C288 H184 N48 Ni12 O104 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0912","0.0806","","","0.2122","0.2215","","","","","","1.03","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224170","13.5739","0.0015","19.361","0.002","8.7636","0.0009","90","","96.151","0.001","90","","2289.9","0.4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 N4 Ni O8.02 -","- C24 H14 N4 Ni O8 -","- C96 H56 N16 Ni4 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0824","0.0692","","","0.191","0.2003","","","","","","1.085","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224171","13.827","0.003","19.685","0.004","8.9064","0.0017","90","","97.32","0.003","90","","2404.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Mn N4 O8 -","- C24 H14 Mn N4 O8 -","- C96 H56 Mn4 N16 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0777","0.0466","","","0.1042","0.1149","","","","","","1.109","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224172","13.641","0.004","19.536","0.005","8.806","0.002","90","","96.639","0.003","90","","2331","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 Co0.5 N2 O4.18 -","- C12 H7 Co0.5 N2 O4.18 -","- C96 H56 Co4 N16 O33.44 -","8","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0564","0.0486","","","0.1288","0.1344","","","","","","1.086","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224173","7.361","0.002","15.645","0.003","26.957","0.005","90","","90","","90","","3104.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N4 Ni O17 -","- C24 H16 N4 Ni O9 -","- C96 H64 N16 Ni4 O36 -","4","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0881","0.0537","","","0.1093","0.1157","","","","","","1.152","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224174","7.9939","0.0002","9.0331","0.0004","11.1337","0.0005","89.976","0.004","83.248","0.003","85.245","0.003","795.6","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0499","0.0377","","","0.0814","0.0864","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224175","8.3895","0.0003","9.1961","0.0003","15.9849","0.0006","103.892","0.003","97.021","0.003","90.97","0.003","1186.83","0.07","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N4 O S -","- C8 H16 N4 O S -","- C32 H64 N16 O4 S4 -","4","2","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","1.54184","CuKα","","0.0374","0.0344","","","0.0956","0.0987","","","","","","1.043","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224176","7.7966","0.0005","9.0094","0.0005","10.8792","0.0007","89.053","0.005","85.454","0.005","83.906","0.005","757.45","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0749","0.0793","","","","","","1.05","","","","has coordinates,has disorder","177742","2020-10-21","18:00:00",""
"7224177","6.6617","0.0002","9.4643","0.0002","13.0807","0.0004","70.44","0.001","80.953","0.001","83.307","0.001","765.64","0.04","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 Cl2 I N2 O2 Ru -","- C12 H8 Cl2 I N2 O2 Ru -","- C24 H16 Cl4 I2 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0294","0.0211","","","0.044","0.0465","","","","","","1.018","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224178","6.6553","0.0001","16.3426","0.0004","10.2145","0.0002","90","","97.865","0.001","90","","1100.53","0.04","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C13 H9 Br2 Cl3 I4 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C26 H18 Br4 Cl6 I4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0308","0.0239","","","0.0542","0.0558","","","","","","0.994","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224179","15.6811","0.0006","7.3656","0.0003","9.4737","0.0004","90","","90","","90","","1094.22","0.08","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H8 I6 N2 O2 Ru -","- C12 H8 I6 N2 O2 Ru -","- C24 H16 I12 N4 O4 Ru2 -","2","0.5","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0208","0.0193","","","0.04","0.0404","","","","","","1.088","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224180","9.0961","0.0016","10.371","0.003","10.572","0.003","112.39","0.03","93.49","0.03","90.7","0.02","919.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 I4 N2 O2 Ru -","- C12 H8 I4 N2 O2 Ru -","- C24 H16 I8 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0478","0.0338","","","0.0879","0.0955","","","","","","1.051","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224181","11.6841","0.0006","11.4179","0.0006","17.2077","0.0009","90","","105.946","0.001","90","","2207.3","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Br Cl3 I3 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C52 H36 Br8 Cl12 I8 N8 O8 Ru4 -","4","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0309","0.0204","","","0.0454","0.0494","","","","","","1.052","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224182","6.4683","0.0003","12.3842","0.0005","21.1414","0.0009","89.106","0.002","83.451","0.002","87.535","0.002","1680.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl4 N2 O2 Ru -","- C13 H10 Cl4 N2 O2 Ru -","- C52 H40 Cl16 N8 O8 Ru4 -","4","2","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0412","0.0297","","","0.0703","0.0772","","","","","","1.035","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224183","8.3627","0.0006","6.9269","0.0005","12.705","0.0009","90","","103.49","0.002","90","","715.67","0.09","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 Br2 N2 O2 Ru -","- C12 H8 Br2 N2 O2 Ru -","- C24 H16 Br4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0272","0.0235","","","0.0552","0.0564","","","","","","1.011","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224184","13.7231","0.0015","11.922","0.0013","18.0712","0.0019","90","","90","","90","","2956.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 O2 Ru -","- C12 H8 I2 N2 O2 Ru -","- C96 H64 I16 N16 O16 Ru8 -","8","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0324","0.0235","","","0.049","0.0522","","","","","","1.079","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224185","16.2","0.01","7.378","0.007","8.793","0.006","90","","105.079","0.03","90","","1014.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isoniazid-adipic acid cocrystal II","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Sarceviča, I.; Kons, A.; Orola, L.","Isoniazid cocrystallisation with dicarboxylic acids: vapochemical, mechanochemical and thermal methods","CrystEngComm","2016","18","9","1625","","10.1039/C5CE01774B","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.9","","","","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224194","18.1183","0.0003","19.5986","0.0004","24.7135","0.0005","75.385","0.0007","83.625","0.0006","74.064","0.0011","8157.1","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","","- C135 H202 Ag4 Cl6 F12 O34 S12 -","- C133 H188 Ag4 Cl6 F12 O33 S12 -","- C266 H376 Ag8 Cl12 F24 O66 S24 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","0.71073","MoKα","","0.1226","0.0952","","","0.2465","0.2636","","","","","","1.071","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224195","14.4639","0.0003","17.1573","0.0005","19.8936","0.0008","67.754","0.003","71.544","0.003","88.853","0.002","4306.2","0.3","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","","- C72 H107 Ag3 F9 O19.5 S6 -","- C72 H106 Ag3 F9 O19.5 S6 -","- C144 H212 Ag6 F18 O39 S12 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","x-ray","1.54184","CuKα","","0.0996","0.0856","","","0.2508","0.272","","","","","","1.035","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224196","14.9657","0.0003","31.1456","0.0007","22.3769","0.0006","90","","94.729","0.002","90","","10394.7","0.4","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","","- C79 H111 Ag4.5 F13.5 O20.5 S6 -","- C79 H105.5 Ag4.5 F13.5 O20.5 S6 -","- C316 H422 Ag18 F54 O82 S24 -","4","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1187","0.0918","","","0.261","0.2876","","","","","","1.04","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224197","17.7963","0.0006","20.7997","0.0006","24.3087","0.0005","92.255","0.002","98.785","0.002","106.258","0.003","8504.9","0.4","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","","- C153 H227 Ag5 F15 O32.5 S8 -","- C153 H225 Ag5 F15 O32.5 S8 -","- C306 H450 Ag10 F30 O65 S16 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1131","0.0739","","","0.197","0.2279","","","","","","0.991","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224206","11.5457","0.0004","13.4021","0.0005","29.7173","0.0012","90","","95.335","0.004","90","","4578.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0756","0.0428","","","0.0761","0.0863","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224207","11.4775","0.0004","13.3647","0.0005","29.9849","0.0008","90","","94.569","0.003","90","","4584.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0785","0.0428","","","0.079","0.0901","","","","","","1.01","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224208","11.5673","0.0012","13.4937","0.0008","30.088","0.003","90","","93.738","0.01","90","","4686.3","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1413","0.065","","","0.1106","0.1395","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224209","11.583","0.0005","13.5168","0.0004","30.1137","0.0011","90","","93.57","0.004","90","","4705.6","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0955","0.0505","","","0.0966","0.1141","","","","","","0.991","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224210","11.5844","0.0006","13.5468","0.0005","30.1451","0.0011","90","","93.333","0.004","90","","4722.7","0.3","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0997","0.0513","","","0.1053","0.1244","","","","","","1.007","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224211","11.6183","0.0007","13.554","0.0005","30.111","0.002","90","","93.455","0.005","90","","4733.1","0.5","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1325","0.0595","","","0.1085","0.1357","","","","","","1.009","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224212","11.65","0.0005","13.5543","0.0006","30.068","0.0012","90","","93.859","0.004","90","","4737.2","0.3","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0964","0.0491","","","0.0888","0.104","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224213","11.5238","0.0007","13.4068","0.0005","29.8526","0.0013","90","","95.231","0.005","90","","4592.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1061","0.0534","","","0.0946","0.1117","","","","","","1.001","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224214","11.5241","0.0006","13.4062","0.0004","29.8989","0.0011","90","","95.061","0.004","90","","4601.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.096","0.051","","","0.0898","0.1048","","","","","","1.009","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224215","11.4898","0.0007","13.3882","0.0005","29.98","0.0013","90","","94.753","0.005","90","","4595.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1051","0.0534","","","0.0953","0.1134","","","","","","1.001","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224216","11.4937","0.0003","13.381","0.0004","29.9575","0.001","90","","94.717","0.003","90","","4591.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0748","0.0466","","","0.0929","0.1046","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224217","11.4854","0.0003","13.3693","0.0003","30.0108","0.0008","90","","94.639","0.002","90","","4593.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0513","0.0329","","","0.0667","0.0728","","","","","","1.007","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224218","11.5322","0.0004","13.4261","0.0005","30.0361","0.0011","90","","94.162","0.004","90","","4638.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0968","0.0514","","","0.0902","0.1054","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224219","11.5569","0.0005","13.4632","0.0005","30.0545","0.0013","90","","93.906","0.004","90","","4665.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1115","0.0537","","","0.0908","0.109","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224220","11.5703","0.0005","13.4876","0.0006","30.0621","0.0014","90","","93.739","0.005","90","","4681.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1202","0.0571","","","0.0914","0.1101","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224221","11.6115","0.0007","13.5033","0.0007","29.982","0.0017","90","","93.955","0.005","90","","4689.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1383","0.0628","","","0.1065","0.1333","","","","","","1","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224222","11.646","0.0006","13.5277","0.0007","30.0138","0.0015","90","","93.953","0.005","90","","4717.2","0.4","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.136","0.0596","","","0.0903","0.112","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224223","11.6422","0.0005","13.5412","0.0006","30.0467","0.0011","90","","93.985","0.004","90","","4725.4","0.3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0913","0.0474","","","0.0889","0.1029","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224224","11.6538","0.0006","13.5552","0.0007","30.0383","0.0016","90","","93.725","0.005","90","","4735.1","0.4","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1492","0.0601","","","0.0904","0.1157","","","","","","0.983","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224225","13.691","0.004","22.544","0.006","11.572","0.003","90","","96.98","0.05","90","","3545.2","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C30 H52 N6 O17 -","- C30 H38 N6 O17 -","- C120 H152 N24 O68 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.71073","MoKα","","0.1222","0.1019","","","0.2549","0.2711","","","","","","1.069","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224226","11.73","0.003","19.81","0.005","17.13","0.004","90","","105.77","0.03","90","","3830.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3","","- C30 H45 Mn N6 Na O21 -","- C30 H35 Mn N6 Na O20.5 -","- C120 H140 Mn4 N24 Na4 O82 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1105","0.1048","","","0.2944","0.3013","","","","","","1.064","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224227","18.78","0.004","18.11","0.004","9.2","0.002","90","","106.22","0.05","90","","3004.4","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4","","- C30 H38 N6 Ni O11 -","- C30 H36 N6 Ni O11 -","- C120 H144 N24 Ni4 O44 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1095","0.0841","","","0.2394","0.2671","","","","","","1.085","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224228","10.83","0.016","18.48","0.002","16.55","0.002","90","","103.9","0.02","90","","3215","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5","","- C30 H40 N6 O14 Zn2 -","- C30 H34 N6 O14 Zn2 -","- C120 H136 N24 O56 Zn8 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotronradiation","","0.1989","0.0951","","","0.2204","0.2896","","","","","","1.018","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224229","11.36","0.003","22.08","0.003","15.56","0.003","90","","90.2","0.03","90","","3902.9","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6","","- C30 H50 N6 Ni O19 Zn -","- C30 H34 N6 Ni O19 Zn -","- C120 H136 N24 Ni4 O76 Zn4 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1127","0.1057","","","0.3426","0.3522","","","","","","1.669","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224230","37","0.004","12.5","0.004","18.68","0.004","90","","111.4","0.03","90","","8044","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7","","- C30 H52 Mn N6 O20 Zn -","- C30 H34 Mn N6 O20 Zn -","- C240 H272 Mn8 N48 O160 Zn8 -","8","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1171","0.1041","","","0.3237","0.345","","","","","","1.562","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224231","4.9477","0.0002","10.5762","0.0005","13.8911","0.0007","109.507","0.005","95.486","0.004","101.807","0.004","660","0.06","120","1","120","2","","","","","","","see text","4","P -1","-P 1","2","","111 GASM 14D sovate","","- C13 H15 N O8 -","- C13 H15 N O8 -","- C26 H30 N2 O16 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0389","0.034","","","0.0831","0.0862","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224232","4.7352","0.0002","16.3413","0.0005","15.6208","0.0009","90","","91.454","0.004","90","","1208.34","0.09","110","2","110","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","111 GASM hydrate","","- C11 H13 N O8 -","- C11 H13 N O8 -","- C44 H52 N4 O32 -","4","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0728","0.046","","","0.0873","0.1005","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224233","8.0698","0.0004","10.3449","0.0006","15.3908","0.001","102.993","0.005","91.11","0.005","109.434","0.005","1174.4","0.13","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","221 GASM hydrate","","- C11 H12 N O7.5 -","- C11 H12 N O7.5 -","- C44 H48 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0741","0.0561","","","0.1406","0.1574","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224234","11.4899","0.0007","13.1674","0.0007","13.3084","0.001","67.527","0.006","67.492","0.007","64.74","0.006","1623.5","0.2","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","421 GASM hydrate","","- C15 H17 N2 O9.5 -","- C15 H17 N2 O9.5 -","- C60 H68 N8 O38 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0581","0.0441","","","0.108","0.1202","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224235","8.2761","0.0004","11.6893","0.0006","14.7645","0.0007","108.269","0.004","97.664","0.004","101.744","0.004","1297.75","0.12","110","0.1","110","2","","","","","","","see text","4","P -1","-P 1","2","","221 GASM Act solvate","","- C12.5 H14 N O7.5 -","- C12.5 H14 N O7.5 -","- C50 H56 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0495","0.0404","","","0.1039","0.1106","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224236","9.1318","0.0004","14.0453","0.0006","15.5062","0.0007","79.362","0.004","85.337","0.003","79.211","0.003","1917.82","0.15","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","331 GASM EtOAc solvate","","- C37 H39 N3 O23 -","- C37 H39 N3 O23 -","- C74 H78 N6 O46 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.1053","0.0591","","","0.1542","0.1873","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224237","5.927","0.005","8.342","0.005","13.899","0.005","79.829","0.005","84.029","0.005","77.411","0.005","658.6","0.7","110","0.1","110","0.1","","","","","","","see text","4","P 1","P 1","1","","221 GASM THF solvate","","- C13 H15 N O7.5 -","- C13 H15 N O7.5 -","- C26 H30 N2 O15 -","2","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0558","0.0442","","","0.1071","0.1172","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224244","38.3937","0.0002","38.3937","0.0002","38.3937","0.0002","90","","90","","90","","56595.2","0.5","150","2","150","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","Ir-POF-1","","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C576 H288 Cl12 Ir12 N48 O256 Zr48 -","4","0.0416667","","Cui, Hao; Wang, Yingxia; Wang, Yanhu; Fan, Yan-Zhong; Zhang, Li; Su, Cheng-Yong","A stable and porous iridium(iii)-porphyrin metal‒organic framework: synthesis, structure and catalysis","CrystEngComm","2016","18","12","2203","","10.1039/C6CE00358C","","","1.54178","","","0.0919","0.0763","","","0.2396","0.2559","","","","","","1.063","","","","has coordinates","181598","2020-10-21","18:00:00",""
"7224255","8.813","0.002","23.763","0.005","14.62","0.003","90","","91.91","0.02","90","","3060.1","1.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 I6 N10 O9 Zn2 -","- C55 H48 I6 N10 O9 Zn2 -","- C110 H96 I12 N20 O18 Zn4 -","2","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0772","0.0493","","","0.1041","0.1149","","","","","","1.04","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224256","24.0554","0.0018","11.3346","0.0009","22.9563","0.0018","90","","98.893","0.008","90","","6184","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 I6 N12 O10 Zn -","- C58 H52 I6 N12 O10 Zn -","- C232 H208 I24 N48 O40 Zn4 -","4","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0626","0.0475","","","0.1215","0.1298","","","","","","1.037","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224257","10.1389","0.0005","14.9139","0.0008","23.1236","0.0012","90","","95.194","0.002","90","","3482.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.42 H35.65 N6.81 O5.81 Zn -","- C33.421 H35.649 N6.807 O5.807 Zn -","- C133.684 H142.596 N27.228 O23.228 Zn4 -","4","1","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.1145","0.0789","","","0.2271","0.2566","","","","","","1.057","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224258","19.4674","0.0004","5.92693","0.00011","31.1266","0.0007","90","","90","","90","","3591.45","0.13","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 O23 Zn3 -","- C32 H32 O23 Zn3 -","- C128 H128 O92 Zn12 -","4","1","","Ohtani, Masataka; Takase, Kazutaka; Wang, Pengyu; Higashi, Kouki; Ueno, Kimiyoshi; Yasuda, Nobuhiro; Sugimoto, Kunihisa; Furuta, Mamoru; Kobiro, Kazuya","Water-triggered macroscopic structural transformation of a metal‒organic framework","CrystEngComm","2016","18","11","1866","","10.1039/C6CE00031B","","","0.78202","Synchrotron","","0.0319","0.0287","","","0.0658","0.0682","","","","","","1.069","","","","has coordinates,has disorder","181609","2020-10-21","18:00:00",""
"7224263","14.3465","0.0007","22.44","0.0011","19.3715","0.0011","90","","92.822","0.004","90","","6228.8","0.6","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 B16 Co2 N2 O10 -","- C14 H30 B16 Co2 N2 O10 -","- C112 H240 B128 Co16 N16 O80 -","8","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1386","0.0809","","","0.1916","0.2055","","","","2.91","2.91","2.22","","","","has coordinates","288070","2023-12-06","12:58:05",""
"7224264","31.1622","0.0012","31.1622","0.0012","11.1615","0.0005","90","","90","","90","","10838.7","0.8","299","1","299","","","","","","","","","5","I 41 m d","I 4bw -2","109","","","","- C11 H16 B16 Cu2 O11.4 -","- C11 H16 B16 Cu2 O11.4 -","- C88 H128 B128 Cu16 O91.2 -","8","0.5","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1049","0.0928","","","0.1924","0.1945","","","","4.53","4.53","4.16","","","","has coordinates","181597","2020-10-21","18:00:00",""
"7224265","20.8189","0.0004","23.3745","0.0005","12.7036","0.0003","90","","90","","90","","6182","0.2","150","0.1","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27.512 H58.127 B24 N3.102 O16.102 Zn4 -","- C27.515 H58.133 B24 N3.103 O16.103 Zn4 -","- C110.06 H232.532 B96 N12.412 O64.412 Zn16 -","4","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.0669","0.0617","","","0.1634","0.1675","","","","2.7","2.7","2.65","","","","has coordinates","288070","2023-12-06","12:58:11",""
"7224279","21.638","0.005","20.983","0.005","12.364","0.005","90","","90","","90","","5614","3","100","1","100","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O5 -","- C26 H18 Co N4 O5 -","- C208 H144 Co8 N32 O40 -","8","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0843","0.0569","","","0.15","0.1727","","","","","","1.019","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224280","14.556","0.005","12.648","0.005","17.312","0.005","90","","110.84","0.005","90","","2978.7","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Co N5 O6 -","- C29 H25 Co N5 O6 -","- C116 H100 Co4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0884","0.0728","","","0.2205","0.2355","","","","","","1.039","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224281","10.284","0.005","19.302","0.005","11.701","0.005","90","","102.472","0.005","90","","2267.9","1.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O5 Zn -","- C26 H18 N4 O5 Zn -","- C104 H72 N16 O20 Zn4 -","4","0.5","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0366","0.0328","","","0.0897","0.0922","","","","","","1.098","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224282","14.298","0.005","12.999","0.005","16.979","0.005","90","","108.28","0.005","90","","2996.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N5 O6 -","- C29 H25 Cd N5 O6 -","- C116 H100 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0638","0.0556","","","0.1573","0.1641","","","","","","1.04","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224283","14.261","0.005","13.024","0.005","17.038","0.005","90","","108.197","0.005","90","","3006.3","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cd N5 O6 -","- C31 H29 Cd N5 O6 -","- C124 H116 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0508","0.0357","","","0.0847","0.0929","","","","","","1.036","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224284","14.499","0.005","12.841","0.005","16.771","0.005","90","","108.244","0.005","90","","2965.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cd N5 O6 -","- C30 H27 Cd N5 O6 -","- C120 H108 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0818","0.0561","","","0.1355","0.1537","","","","","","1.073","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224285","14.268","0.005","12.993","0.005","16.902","0.005","90","","107.945","0.005","90","","2980.9","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cu N5 O6 -","- C29 H25 Cu N5 O6 -","- C116 H100 Cu4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.1009","0.0781","","","0.1844","0.2284","","","","","","1.05","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224286","12.713","0.016","8.649","0.011","15.231","0.019","90","","103.798","0.015","90","","1626","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.0618","0.0402","","","0.1019","0.1168","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224287","11.62","0.003","13.232","0.003","13.981","0.003","105.776","0.001","90.626","0.002","112.721","0.001","1891.8","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C90 H66 N6 O24 -","6","3","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.1091","0.0627","","","0.1675","0.1936","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224288","8.7874","0.0003","12.0308","0.0007","13.8215","0.0008","90","","104.964","0.003","90","","1411.65","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Diphenylanthracene 1,1,2,2-tetrachloroethane solvate","","- C30 H22 Cl8 -","- C30 H22 Cl8 -","- C60 H44 Cl16 -","2","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0738","0.0515","","","0.1201","0.1314","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224289","10.4702","0.0009","13.3923","0.001","12.0158","0.0011","90","","89.931","0.008","90","","1684.9","0.2","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0485","0.0365","","","0.0876","0.0954","","","","","","1.101","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224290","10.041","0.002","13.15","0.002","11.378","0.002","90","","88.483","0.017","90","","1501.8","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0816","0.0528","","","0.1294","0.1475","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224291","22.1305","0.0004","5.90728","0.00009","33.8663","0.0006","90","","106.709","0.0018","90","","4240.45","0.13","293","2","293.15","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0677","0.0448","","","0.1089","0.122","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224292","32.3617","0.0007","18.5058","0.0005","7.04172","0.00013","90","","90","","90","","4217.14","0.17","293","2","293.15","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","1","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0624","0.0484","","","0.1275","0.1403","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224293","9.3498","0.0016","9.4481","0.0018","24.396","0.002","89.902","0.012","81.207","0.012","76.231","0.016","2067.2","0.6","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.1684","0.1011","","","0.2633","0.3295","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224294","13.0361","0.0007","12.7404","0.0008","20.0773","0.0016","90","","94.398","0.002","90","","3324.7","0.4","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pdbpn","pdbpn","","- C18 H13 Cl N4 O Pd -","- C18 H13 Cl N4 O Pd -","- C144 H104 Cl8 N32 O8 Pd8 -","8","2","","Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj","Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step","Green Chem.","2016","18","11","3295","","10.1039/C5GC02937F","","","0.71073","MoKα","","0.1934","0.0553","","","0.0944","0.1258","","","","","","0.846","","","","has coordinates,has disorder","183714","2020-10-21","18:00:00",""
"7224295","18.2644","0.0011","9.0854","0.0006","19.045","0.0011","90","","90","","90","","3160.3","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","pdsnah","pdsnah","","- C17 H12 Cl N3 O2 Pd -","- C17 H12 Cl N3 O2 Pd -","- C136 H96 Cl8 N24 O16 Pd8 -","8","2","","Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj","Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step","Green Chem.","2016","18","11","3295","","10.1039/C5GC02937F","","","0.71073","MoKα","","0.0322","0.0271","","","0.0575","0.0595","","","","","","1.024","","","","has coordinates","183714","2020-10-21","18:00:00",""
"7224310","14.2909","0.0005","14.2909","0.0005","41.5072","0.0016","90","","90","","120","","7341.3","0.5","139.96","0.18","139.96","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0367","0.0258","","","0.0651","0.0691","","","","","","1.099","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224311","8.2603","0.0003","8.2603","0.0003","13.8466","0.0004","90","","90","","120","","818.21","0.05","159.97","0.18","159.97","0.18","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H14.0016 Fe2 N1.0002 O12 -","- C16 H28.0032 Fe4 N2.0004 O24 -","2","0.166667","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.027","0.0216","","","0.048","0.0499","","","","","","1.041","","","","has coordinates","182801","2020-10-21","18:00:00",""
"7224312","14.2916","0.0005","14.2916","0.0005","41.4795","0.0017","90","","90","","120","","7337.1","0.5","100","0.3","100","0.3","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C7.998 H13.994 Fe2 N0.999 O12 -","- C143.964 H251.892 Fe36 N17.982 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0347","0.0246","","","0.0656","0.0704","","","","","","0.984","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224313","14.2991","0.0005","14.2991","0.0005","41.5361","0.0013","90","","90","","120","","7354.8","0.4","149.97","0.18","149.97","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0429","0.0297","","","0.0734","0.0778","","","","","","1.174","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224314","14.2896","0.0005","14.2896","0.0005","41.483","0.0015","90","","90","","120","","7335.7","0.4","124.95","0.18","124.95","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0352","0.0245","","","0.0663","0.0716","","","","","","0.989","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224320","13.0733","0.0002","16.7932","0.0003","19.0162","0.0002","91.0697","0.0011","94.1916","0.0012","103.074","0.0014","4053.1","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C198 H150 N30 O24 -","6","3","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0472","0.0425","","","0.1137","0.117","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224321","14.34241","0.00019","19.5568","0.0002","11.3441","0.00016","90","","94.0477","0.0012","90","","3173.99","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 N6 O5 -","- C37 H34 N6 O5 -","- C148 H136 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0538","0.0424","","","0.0981","0.1044","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224322","14.5114","0.0007","19.1956","0.0007","11.3102","0.0004","90","","97.975","0.004","90","","3120","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 D6 N5 O6 S -","- C35 H27 D6 N5 O6 S -","- C140 H108 D24 N20 O24 S4 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.1021","0.061","","","0.1416","0.1634","","","","","","1.093","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224323","13.934","0.003","19.167","0.0019","11.1543","0.0014","90","","94.855","0.018","90","","2968.3","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N6 O4 -","- C35 H28 N6 O4 -","- C140 H112 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54184","CuKα","","0.1041","0.0591","","","0.1209","0.1499","","","","","","0.952","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224324","8.9343","0.0002","12.0833","0.0002","13.1298","0.0002","112.097","0.002","93.024","0.002","101.52","0.002","1274.04","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl2 N4 O3 -","- C27 H22 Cl2 N4 O3 -","- C54 H44 Cl4 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0838","0.0657","","","0.1671","0.183","","","","","","1.052","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224325","9.0133","0.0001","11.9653","0.0001","12","0.0001","83.142","0.001","81.233","0.001","69.213","0.001","1192.79","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H21 Cl N4 O3 -","- C26.5 H21 Cl N4 O3 -","- C53 H42 Cl2 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.067","0.0582","","","0.1498","0.1586","","","","","","1.049","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224326","8.189","0.0002","12.1939","0.0003","14.5599","0.0003","68.849","0.002","80.18","0.003","86.555","0.003","1336.08","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N5 O4 -","- C30 H29 N5 O4 -","- C60 H58 N10 O8 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0813","0.0512","","","0.1195","0.1369","","","","","","1.027","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224327","10.9333","0.0006","18.054","0.0011","21.5317","0.0014","90","","90","","90","","4250.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N4 O3 -","- C26 H20 N4 O3 -","- C208 H160 N32 O24 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.101","0.0543","","","0.1132","0.135","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224328","8.5193","0.0003","9.8054","0.0004","14.3709","0.0004","74.437","0.003","75.224","0.003","78.208","0.003","1106.25","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N2-(2-aminophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C26 H21 N5 O3 -","- C26 H21 N5 O3 -","- C52 H42 N10 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0568","0.0439","","","0.1054","0.1126","","","","","","1.1","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224329","12.3983","0.0002","19.7518","0.0003","14.0691","0.0002","90","","99.8562","0.0016","90","","3394.51","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl3 N6 O4 -","- C35 H25 Cl3 N6 O4 -","- C140 H100 Cl12 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0661","0.0501","","","0.1198","0.1299","","","","","","1.024","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224330","12.1856","0.0005","20.3897","0.0008","13.7195","0.0005","90","","95.426","0.003","90","","3393.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N7 O5 -","- C38 H33 N7 O5 -","- C152 H132 N28 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1275","0.0703","","","0.1653","0.2001","","","","","","1.021","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224331","12.2684","0.0004","20.2242","0.0007","13.8112","0.0005","90","","98.246","0.002","90","","3391.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N6 O5 -","- C38 H32 N6 O5 -","- C152 H128 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1238","0.083","","","0.21","0.2409","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224332","8.7193","0.0002","13.1332","0.0003","13.2791","0.0005","114.688","0.001","97.288","0.001","103.693","0.001","1297.73","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N5 O5 -","- C30 H27 N5 O5 -","- C60 H54 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.71073","MoKα","","0.1002","0.0586","","","0.1308","0.1503","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224333","8.7246","0.0005","13.2012","0.0005","15.2754","0.0005","97.888","0.003","104.934","0.004","104.062","0.004","1611.06","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N2-(2-acetamidophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C32 H35 N5 O6 S2 -","- C32 H35 N5 O6 S2 -","- C64 H70 N10 O12 S4 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0735","0.0516","","","0.1138","0.1271","","","","","","1.031","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224334","26.4407","0.0011","8.6348","0.0003","21.4502","0.001","90","","94.284","0.002","90","","4883.6","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N5 O4 -","- C28 H23 N5 O4 -","- C224 H184 N40 O32 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0901","0.0518","","","0.1129","0.1333","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224335","9.6881","0.0006","10.6294","0.0007","15.8346","0.0009","105.487","0.005","103.244","0.005","102.241","0.005","1463.32","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C66 H66 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0937","0.058","","","0.0991","0.1136","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224336","13.8945","0.0003","19.3946","0.0004","11.2987","0.0002","90","","92.96","0.002","90","","3040.69","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 D6 N5 O5 -","- C36 H25 D6 N5 O5 -","- C144 H100 D24 N20 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0787","0.0581","","","0.1478","0.1617","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224337","8.837","0.003","9.956","0.002","12.431","0.004","67.08","0.02","85.63","0.03","73.08","0.02","962.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O4 S6 -","- C16 H14 N O4 S6 -","- C32 H28 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71075","MoKα","","0.0577","0.0436","","","0.1033","0.1277","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224338","9.5145","0.0019","9.96","0.002","13.139","0.003","107.14","0.03","106.56","0.03","94.37","0.03","1122.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","1","0.5","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0528","0.0424","","","0.1109","0.1141","","","","","","1.071","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224339","7.5801","0.0015","11.601","0.002","12.317","0.003","89.25","0.03","74.54","0.03","88.44","0.03","1043.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N O4 S6 -","- C17 H16 N O4 S6 -","- C34 H32 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0629","0.0388","","","0.0926","0.1025","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224340","26.74","0.02","15.068","0.012","19.967","0.016","90","","128.436","0.011","90","","6302","9","243","2","243","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","wcz","","","- C42 H70 Ca Cd Cl4 N24 O23 -","- C42 H48 Ca Cd Cl4 N24 O16 -","- C168 H192 Ca4 Cd4 Cl16 N96 O64 -","4","0.5","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1917","0.1023","","","0.2904","0.3397","","","","","","0.948","","","","has coordinates","181603","2020-10-21","18:00:00",""
"7224341","14.998","0.006","18.882","0.008","27.686","0.012","90","","92.018","0.006","90","","7836","6","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wcz","","","- C42 H90 Ba2 Cd Cl6 N24 O33 -","- C42 H48 Ba2 Cd Cl6 N24 O19 -","- C168 H192 Ba8 Cd4 Cl24 N96 O76 -","4","1","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1967","0.0987","","","0.2573","0.298","","","","","","0.897","","","","has coordinates,has disorder","181603","2020-10-21","18:00:00",""
"7224342","6.8378","0.0004","12.9909","0.0008","13.6543","0.0008","74.892","0.005","77.728","0.005","77.116","0.005","1126.02","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 La N3 O10 -","- C18 H17 F3 La N3 O10 -","- C36 H34 F6 La2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71","MoKα","","0.0544","0.0423","","","0.0618","0.0707","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224343","6.8156","0.0008","12.914","0.0015","13.6372","0.0013","74.71","0.009","77.652","0.009","76.938","0.01","1112.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Pr -","- C18 H17 F3 N3 O10 Pr -","- C36 H34 F6 N6 O20 Pr2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0528","0.0418","","","0.0802","0.086","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224344","6.806","0.0003","12.881","0.0009","13.6265","0.0008","74.631","0.006","77.655","0.005","76.893","0.005","1106.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 Nd O10 -","- C18 H17 F3 N3 Nd O10 -","- C36 H34 F6 N6 Nd2 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0468","0.039","","","0.0749","0.0812","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224345","6.7955","0.0004","12.8007","0.0008","13.6033","0.0009","74.644","0.005","77.629","0.005","76.699","0.005","1095.54","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Eu F3 N3 O10 -","- C18 H17 Eu F3 N3 O10 -","- C36 H34 Eu2 F6 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0369","0.0311","","","0.0584","0.063","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224346","6.7892","0.0005","12.7644","0.0012","13.5843","0.0016","74.594","0.009","77.659","0.009","76.719","0.008","1089.84","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 Gd N3 O10 -","- C18 H17 F3 Gd N3 O10 -","- C36 H34 F6 Gd2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0374","0.0329","","","0.0723","0.0759","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224347","6.7859","0.0004","12.7748","0.0007","13.566","0.0008","74.689","0.005","77.546","0.005","76.536","0.005","1088.1","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Tb -","- C18 H17 F3 N3 O10 Tb -","- C36 H34 F6 N6 O20 Tb2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0332","0.0288","","","0.0589","0.0621","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224348","6.7196","0.0004","13.0045","0.0009","13.3399","0.0009","94.604","0.006","93.382","0.005","102.228","0.005","1132.12","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F3 N3 O11 Tm -","- C18 H19 F3 N3 O11 Tm -","- C36 H38 F6 N6 O22 Tm2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0431","0.0364","","","0.0713","0.0768","","","","","","1.107","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224349","8.6142","0.0002","27.4686","0.0009","15.3524","0.0004","90","","100.233","0.003","90","","3574.9","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Eu F2 N7 O10 -","- C36 H28 Eu F2 N7 O10 -","- C144 H112 Eu4 F8 N28 O40 -","4","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0709","0.047","","","0.1078","0.1255","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224350","13.6952","","11.1812","","10.7534","","82.39","","92.5433","","90.1698","","1630.54","","298.15","","298.15","","","","","","","","","5","P 1","P 1","1","GL-SA","","","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","1","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.782","","","","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224351","10.8484","","14.3701","","13.0037","","90","","125.84","","90","","1643.34","","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GL-MA","","","- C19 H27 N3 O8 S -","- C19 H27 N3 O8 S -","- C76 H108 N12 O32 S4 -","4","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.894","","","","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224352","11.6181","0.0001","12.7879","0.0001","24.72","0.0002","90","","91.4752","0.0006","90","","3671.46","0.05","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(FIO)3:CH2Cl2","","","- C40 H23 Cl2 F3 N6 O6 -","- C40 H23 Cl2 F3 N6 O6 -","- C160 H92 Cl8 F12 N24 O24 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.042","0.0347","","","0.0867","0.093","","","","","","1.032","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224353","11.4994","0.0001","18.9382","0.0001","17.4326","0.0001","90","","91.599","0.002","90","","3794.96","0.04","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(FIO)3:DMSO","","","- C41 H27 F3 N6 O7 S -","- C41 H27 F3 N6 O7 S -","- C164 H108 F12 N24 O28 S4 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0416","0.036","","","0.0986","0.1048","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224354","12.007","0.001","12.0935","0.0009","17.6041","0.0014","100.016","0.007","103.607","0.007","90.467","0.007","2443.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","(FIO)4","","","- C53 H29 Cl3 F4 N8 O8 -","- C53 H29 Cl3 F4 N8 O8 -","- C106 H58 Cl6 F8 N16 O16 -","2","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0821","0.0582","","","0.1588","0.1839","","","","","","1.024","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224355","12.8052","0.0001","23.0739","0.0001","18.4579","0.0002","90","","107.394","0.001","90","","5204.29","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(FIO)4:2(Acetone)","","","- C58 H40 F4 N8 O10 -","- C58 H40 F4 N8 O10 -","- C232 H160 F16 N32 O40 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0677","0.0638","","","0.1931","0.1966","","","","","","1.11","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224356","55.0537","0.001","36.3597","0.0005","10.6018","0.0002","90","","90","","90","","21222","0.6","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","(ClIO)3:DMSO:H2O","","","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C684.16 H516.48 Cl48 N96 O146.08 S30.08 -","4","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0549","0.0497","","","0.1371","0.1426","","","","","","1.053","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224357","13.8337","0.0001","19.0181","0.0001","19.0737","0.0001","90","","90","","90","","5018.11","0.05","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(ClIO)4:CH2Cl2","","","- C106 H60 Cl12 N16 O16 -","- C106 H60 Cl12 N16 O16 -","- C212 H120 Cl24 N32 O32 -","2","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0451","0.0377","","","0.1066","0.1139","","","","","","1.023","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224358","13.9556","0.0003","19.085","0.0004","19.123","0.0003","90","","90","","90","","5093.27","0.17","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CH2Cl2","","","- C57 H42 Cl2 N8 O8 -","- C57 H42 Cl2 N8 O8 -","- C228 H168 Cl8 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0768","0.0611","","","0.1395","0.1476","","","","","","1.091","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224359","14.1849","0.0002","19.089","0.0002","19.1396","0.0002","90","","90","","90","","5182.54","0.11","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CHCl3","","","- C57 H41 Cl3 N8 O8 -","- C57 H41 Cl3 N8 O8 -","- C228 H164 Cl12 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.061","0.0445","","","0.1143","0.1271","","","","","","1.029","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224360","13.9915","0.0006","19.1005","0.0008","19.0658","0.0007","90","","90","","90","","5095.2","0.4","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 chloroform solvate","","","- C52.8 H28.8 Cl6.4 N8 O8 -","- C52.8 H28.8 Cl6.4 N8 O8 -","- C211.2 H115.2 Cl25.6 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.1716","0.0491","","","0.0901","0.1178","","","","","","0.703","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224361","13.6868","0.0009","19.0571","0.0011","19.07","0.0011","90","","90","","90","","4974","0.5","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 dichloromethane solvate","","","- C52.61 H29.22 Cl5.22 N8 O8 -","- C52.61 H29.22 Cl5.22 N8 O8 -","- C210.44 H116.88 Cl20.88 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0845","0.0553","","","0.1458","0.1723","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224362","40.2669","0.001","13.9032","0.0005","25.9948","0.0009","90","","104.201","0.003","90","","14108.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H48 Co3 N4 O16 -","- C80 H48 Co3 N4 O16 -","- C320 H192 Co12 N16 O64 -","4","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.0539","0.0393","","","0.0862","0.0887","","","","","","1.023","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224363","26.9364","0.0007","22.1231","0.0004","26.0462","0.0008","90","","109.737","0.003","90","","14609.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H48 Cd3 N4 O16 -","- C80 H48 Cd3 N4 O16 -","- C320 H192 Cd12 N16 O64 -","4","1","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.1186","0.0826","","","0.2405","0.2709","","","","","","1.057","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224366","24.282","0.005","19.029","0.004","16.19","0.003","90","","100.99","0.03","90","","7344","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N7 O6 Zn -","- C33.5 H25.5 N5.5 O4.5 Zn -","- C268 H204 N44 O36 Zn8 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.116","0.1046","","","0.2586","0.2651","","","","","","1.066","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224367","24.286","0.005","18.962","0.004","16.247","0.003","90","","99.84","0.03","90","","7372","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cd N7 O6 -","- C32 H21.568 Cd N5 O4 -","- C256 H172.544 Cd8 N40 O32 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.1337","0.1108","","","0.316","0.3367","","","","","","1.201","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224368","8.5269","0.0017","26.774","0.005","12.05","0.002","90","","105.38","0.03","90","","2652.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H20 Cu Gd I N4 O7.5 -","- C21 H19 Cu Gd I N4 O7.5 -","- C84 H76 Cu4 Gd4 I4 N16 O30 -","4","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0634","0.0535","","","0.126","0.1302","","","","","","1.094","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224369","25.493","0.004","25.493","0.004","9.1268","0.0018","90","","90","","90","","5931.4","1.8","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H19 Cu2 Gd I2 N4 O7 -","- C21 H14 Cu2 Gd I2 N4 O7 -","- C168 H112 Cu16 Gd8 I16 N32 O56 -","8","0.5","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0326","0.0317","","","0.0797","0.0803","","","","","","1.055","","","","has coordinates,has disorder","185290","2020-10-21","18:00:00",""
"7224370","46.009","0.003","9.7333","0.0005","20.7159","0.0016","90","","105.77","0.004","90","","8927.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cu3 Gd I3 N3 O8 -","- C38 H31 Cu3 Gd I3 N3 O8 -","- C304 H248 Cu24 Gd8 I24 N24 O64 -","8","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0748","0.0369","","","0.0808","0.0936","","","","","","0.939","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224371","9.6323","0.0019","16.676","0.003","21.182","0.004","104.08","0.03","100.39","0.03","97.03","0.03","3196.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 Gd I4 N3 O13 -","- C36 H28 Cu4 Gd I4 N3 O8 -","- C72 H56 Cu8 Gd2 I8 N6 O16 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0553","0.0392","","","0.1141","0.1201","","","","","","1.069","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224384","9.6221","0.0009","24.191","0.003","13.991","0.0014","90","","94.128","0.006","90","","3248.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C53 H68 Br10 Cd N8 O -","- C53 H64 Br10 Cd N8 O -","- C106 H128 Br20 Cd2 N16 O2 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","1.54178","CuKα","","0.0901","0.0608","","","0.1706","0.1855","","","","","","1.055","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224385","9.585","0.0019","24.232","0.005","14.047","0.003","90","","94.31","0.03","90","","3253.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H68.4 Br10 Cd N9 O0.7 -","- C54 H67 Br10 Cd N9 O0.7 -","- C108 H134 Br20 Cd2 N18 O1.4 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","0.7749","Synchrotron","","0.0828","0.0773","","","0.2281","0.2343","","","","","","1.082","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224386","7.727","0.0007","31.123","0.002","9.4423","0.0009","90","","90.283","0.007","90","","2270.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0575","0.0445","","","0.0761","0.0777","","","","","","1.546","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224387","7.696","0.0007","30.757","0.002","9.355","0.0009","90","","90.217","0.007","90","","2214.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.043","0.0371","","","0.1449","0.147","","","","","","1.522","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224388","10.9103","0.0002","19.8342","0.0004","11.3617","0.0002","90","","100.744","0.002","90","","2415.54","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Br8 P2 Sb2 -","- C6 H20 Br8 P2 Sb2 -","- C24 H80 Br32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0377","0.029","","","0.0729","0.075","","","","","","1.157","","","","has coordinates,has disorder","181616","2020-10-21","18:00:00",""
"7224391","16.6417","0.0018","5.4913","0.0006","23.838","0.003","90","","98.603","0.002","90","","2153.9","0.4","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-adipic acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-hexane-1,6-dicarboxylic acid","","- C21 H20 Cl N2 O4 S -","- C21 H20 Cl N2 O4 S -","- C84 H80 Cl4 N8 O16 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0632","0.0555","","","0.1444","0.1516","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224392","12.552","0.003","12.574","0.003","14.989","0.003","96.69","0.003","114.553","0.002","90.099","0.003","2133.8","0.8","278","2","278","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-caprolactam dihydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-Azepan-2-one dihydrate","","- C42 H45 Cl2 N5 O7 S2 -","- C42 H45 Cl2 N5 O7 S2 -","- C84 H90 Cl4 N10 O14 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0526","0.044","","","0.1227","0.1295","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224393","11.8317","0.0015","12.7266","0.0016","15.772","0.002","90","","90.203","0.002","90","","2374.9","0.5","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-gluraric acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-pentanedioic acid","","- C23 H23 Cl N2 O6 S -","- C23 H23 Cl N2 O6 S -","- C92 H92 Cl4 N8 O24 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0517","0.0445","","","0.1219","0.1281","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224394","9.0238","0.0003","10.1284","0.0005","14.8544","0.0009","82.766","0.005","77.64","0.004","85.386","0.004","1313.61","0.11","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid","","- C26 H29 Cl N2 O6 S -","- C26 H29 Cl N2 O6 S -","- C52 H58 Cl2 N4 O12 S2 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","1.54184","CuKα","","0.0498","0.0424","","","0.1154","0.1219","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224395","12.2796","0.0015","12.4817","0.001","14.8713","0.0018","95.187","0.008","113.754","0.012","91.242","0.008","2073.5","0.4","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal hydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid trihydrate","","- C40 H41 Cl2 N4 O9 S2 -","- C40 H41 Cl2 N4 O9 S2 -","- C80 H82 Cl4 N8 O18 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.1562","0.0649","","","0.0936","0.1307","","","","","","0.962","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224398","8.2284","0.0005","9.8021","0.0006","9.8519","0.0006","96.266","0.001","90.993","0.001","112.429","0.001","728.61","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd N3 Na O10 -","- C9 H14 Cd N3 Na O10 -","- C18 H28 Cd2 N6 Na2 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0243","0.0231","","","0.0558","0.0573","","","","","","0.962","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224399","14.2044","0.0009","7.8754","0.0005","22.2696","0.0013","90","","90","","90","","2491.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd N3 O8 -","- C9 H11 Cd N3 O8 -","- C72 H88 Cd8 N24 O64 -","8","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0255","0.0208","","","0.0525","0.0552","","","","","","0.919","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224400","8.5713","0.0017","9.793","0.002","9.91","0.002","97.99","0.03","90.62","0.03","112.72","0.03","757.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd K N3 O10 -","- C9 H14 Cd K N3 O10 -","- C18 H28 Cd2 K2 N6 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0319","0.0288","","","0.0677","0.0699","","","","","","0.928","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224401","8.6333","0.0003","9.7461","0.0003","10.2243","0.0003","92.742","0.001","105.95","0.001","115.039","0.001","736","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 Cd N4 O9 -","- C10 H17 Cd N4 O9 -","- C20 H34 Cd2 N8 O18 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0171","0.0156","","","0.048","0.0599","","","","","","1.323","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224402","28.1876","0.0012","20.8706","0.0007","17.9257","0.0007","90","","106.239","0.005","90","","10124.8","0.7","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N4 O12 -","- C56 H60 N4 O12 -","- C448 H480 N32 O96 -","8","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.094","0.0651","","","0.1663","0.1891","","","","","","1.025","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224403","9.9521","0.0007","13.7594","0.001","15.1539","0.0012","113.562","0.007","94.266","0.006","90.364","0.006","1895.3","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O10 -","- C44 H46 N2 O10 -","- C88 H92 N4 O20 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0855","0.0518","","","0.1154","0.1339","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224404","11.6839","0.0004","13.6838","0.0006","14.7557","0.0006","67.409","0.004","89.351","0.003","67.249","0.004","1982.39","0.17","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H50 N2 O11 -","- C45 H50 N2 O11 -","- C90 H100 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0431","0.037","","","0.0973","0.1031","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224405","18.6065","0.0003","14.6623","0.0003","14.2271","0.0003","90","","102.641","0.0018","90","","3787.27","0.13","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 N2 O12 -","- C44 H46 N2 O12 -","- C176 H184 N8 O48 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0352","0.0324","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224406","10.8492","0.0006","20.9713","0.0008","11.4872","0.0006","90","","107.111","0.006","90","","2497.9","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H64 N4 O20 -","- C48 H64 N4 O20 -","- C96 H128 N8 O40 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0814","0.0668","","","0.1763","0.1896","","","","","","1.024","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224407","13.3203","0.0004","16.1527","0.0004","20.8931","0.0004","90","","100.307","0.002","90","","4422.79","0.19","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 N2 O10 -","- C54 H50 N2 O10 -","- C216 H200 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0633","0.039","","","0.0943","0.1011","","","","","","0.871","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224408","16.5611","0.0004","20.8203","0.0008","14.9973","0.0004","90","","90","","90","","5171.2","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C53 H58 N2 O16 -","- C53 H58 N2 O16 -","- C212 H232 N8 O64 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.067","0.0542","","","0.149","0.159","","","","","","1.058","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224427","14.6","0.001","17.903","0.001","23.642","0.002","90","","90","","90","","6179.6","0.8","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H88 O16 P2 -","- C64 H73 O16 P2 -","- C256 H292 O64 P8 -","4","1","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.0947","0.0754","","","0.2274","0.2523","","","","","","0.999","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224428","19.079","0.001","21.608","0.001","26.346","0.002","90","","90","","90","","10861.4","1.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H68 O13 P2 -","- C61 H68 O13 P2 -","- C488 H544 O104 P16 -","8","2","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.1458","0.0824","","","0.2204","0.2711","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224429","9.7558","0.0002","10.5549","0.0002","16.5111","0.0004","90","","112.447","0.002","90","","1571.36","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Eu N O12 P -","- C8 H15 Eu N O12 P -","- C32 H60 Eu4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0278","0.0247","","","0.0593","0.0612","","","","","","1.025","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224430","9.7306","0.0019","10.53","0.002","16.416","0.005","90","","112.13","0.02","90","","1558.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Gd N O12 P -","- C8 H15 Gd N O12 P -","- C32 H60 Gd4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0261","0.0246","","","0.0606","0.0614","","","","","","1.153","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224431","9.7284","0.0003","10.4717","0.0003","16.4594","0.0006","90","","112.511","0.003","90","","1549.01","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O12 P Tb -","- C8 H15 N O12 P Tb -","- C32 H60 N4 O48 P4 Tb4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0243","0.022","","","0.0541","0.0552","","","","","","1.092","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224432","9.7192","0.0002","10.4517","0.0002","16.4217","0.0004","90","","112.58","0.002","90","","1540.28","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Dy N O12 P -","- C8 H15 Dy N O12 P -","- C32 H60 Dy4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0264","0.0239","","","0.0605","0.0618","","","","","","1.07","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224433","9.7216","0.0003","10.4273","0.0003","16.4046","0.0006","90","","112.678","0.003","90","","1534.37","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Ho N O12 P -","- C8 H15 Ho N O12 P -","- C32 H60 Ho4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0251","0.0228","","","0.0552","0.0568","","","","","","1.016","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224434","10.989","0.002","11.526","0.002","14.98","0.003","90","","90","","90","","1897.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Er2 N O16 P -","- C10 H14 Er2 N O16 P -","- C40 H56 Er8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0161","0.0157","","","0.0396","0.0397","","","","","","1.073","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224435","10.9138","0.0003","11.4793","0.0003","14.9124","0.0003","90","","90","","90","","1868.27","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Tm2 -","- C10 H14 N O16 P Tm2 -","- C40 H56 N4 O64 P4 Tm8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0338","0.033","","","0.0832","0.0839","","","","","","1.049","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224436","10.901","0.002","11.447","0.002","14.89","0.003","90","","90","","90","","1858","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Yb2 -","- C10 H14 N O16 P Yb2 -","- C40 H56 N4 O64 P4 Yb8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0247","0.0234","","","0.0463","0.0466","","","","","","1.147","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224437","10.8491","0.0002","11.4465","0.0002","14.8471","0.0003","90","","90","","90","","1843.78","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Lu2 N O16 P -","- C10 H14 Lu2 N O16 P -","- C40 H56 Lu8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0527","0.0535","","","","","","1.063","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224439","15.198","0.003","15.38","0.004","16.755","0.004","79.01","0.03","69.01","0.03","60.419","0.018","3179.5","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.2324","0.1877","","","0.4038","0.4518","","","","","","2.114","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224440","16.467","0.004","16.942","0.005","26.1","0.007","81.578","0.009","83.78","0.011","85.515","0.012","7146","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H148 F24 N4 O24 P4 -","- C128 H148 F24 N4 O24 P4 -","- C256 H296 F48 N8 O48 P8 -","2","1","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.23","0.1657","","","0.38","0.4074","","","","","","1.656","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224441","15.07","0.004","15.155","0.003","16.795","0.004","69.85","0.02","78.78","0.02","60.465","0.016","3131.6","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1697","0.135","","","0.3082","0.3333","","","","","","1.433","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224442","15.109","0.003","15.144","0.003","16.813","0.003","79.04","0.03","69.65","0.03","60.46","0.03","3137.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1569","0.1348","","","0.3371","0.3623","","","","","","2.13","","","","has coordinates,has disorder","185187","2020-10-21","18:00:00",""
"7224443","7.0536","0.0019","9.661","0.003","18.08","0.005","84.809","0.005","78.965","0.005","80.563","0.005","1190.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl3 N6 O3 Sm -","- C20 H24 Cl3 N6 O3 Sm -","- C40 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.028","0.0254","","","0.0618","0.063","","","","","","1.093","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224444","7.0374","0.0007","9.4788","0.001","20.619","0.002","93.687","0.003","99.462","0.003","98.885","0.002","1334.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl3 N6 O3 Sm -","- C24 H24 Cl3 N6 O3 Sm -","- C48 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0375","0.0297","","","0.0755","0.0928","","","","","","1.194","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224445","7.8039","0.0008","12.3957","0.0013","12.9005","0.0014","75.916","0.002","75.023","0.002","82.22","0.002","1165.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Erdpq1","","","- C20 H22 Cl3 Er N6 O2 -","- C20 H22 Cl3 Er N6 O2 -","- C40 H44 Cl6 Er2 N12 O4 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0679","0.0652","","","0.2077","0.2089","","","","","","1.381","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224446","21.54","0.004","17.225","0.003","19.377","0.004","90","","90","","90","","7189","2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","Erdppz2","","","- C36 H20 Cl3 Er N8 -","- C36 H20 Cl3 Er N8 -","- C288 H160 Cl24 Er8 N64 -","8","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0445","0.0343","","","0.0825","0.0872","","","","","","1.049","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224447","8.5167","0.0004","8.9163","0.0004","22.2579","0.001","90","","90","","90","","1690.21","0.13","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Cd N4 O2 S2 -","- C14 H12 Cd N4 O2 S2 -","- C56 H48 Cd4 N16 O8 S8 -","4","1","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0346","0.0284","","","0.0592","0.0612","","","","","","1.063","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224448","8.5984","0.0006","9.9463","0.0007","10.6576","0.0006","100.46","0.005","108.911","0.005","92.653","0.005","842.5","0.1","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","1","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0558","0.0426","","","0.0962","0.101","","","","","","1.017","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224449","18.418","0.0005","18.418","0.0005","30.698","0.002","90","","90","","90","","10413.5","0.8","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H44 Cd4 N20 O8 -","- C48 H44 Cd4 N20 O8 -","- C384 H352 Cd32 N160 O64 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry – rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0717","0.0384","","","0.0832","0.0953","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224450","13.498","0.0005","12.6484","0.0006","15.9441","0.0006","90","","107.628","0.004","90","","2594.28","0.19","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N20 O8 -","- C46 H40 Cd4 N20 O8 -","- C92 H80 Cd8 N40 O16 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry – rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0513","0.0303","","","0.0596","0.0649","","","","","","0.978","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224451","18.469","0.0007","18.469","0.0007","30.558","0.002","90","","90","","90","","10423.5","0.9","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C52 H44 Cd4 N12 O12 -","- C52 H44 Cd4 N12 O12 -","- C416 H352 Cd32 N96 O96 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry – rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0838","0.0579","","","0.1339","0.15","","","","","","0.994","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224452","13.479","0.0009","12.6998","0.0006","15.9841","0.0013","90","","106.524","0.008","90","","2623.2","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cd4 N12 O12 -","- C50 H40 Cd4 N12 O12 -","- C100 H80 Cd8 N24 O24 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0835","0.0561","","","0.1395","0.1556","","","","","","1.029","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224453","13.4664","0.0006","12.4449","0.0005","16.1614","0.0007","90","","100.398","0.005","90","","2664","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N16 O14 -","- C46 H40 Cd4 N16 O14 -","- C92 H80 Cd8 N32 O28 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry – rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0549","0.0376","","","0.086","0.0947","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224454","13.3914","0.0006","12.5725","0.0005","16.135","0.0009","90","","101.274","0.004","90","","2664.1","0.2","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C96 H80 Cd8 N24 O32 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry – rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0773","0.0592","","","0.1523","0.1677","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224455","12.5084","0.0005","19.1468","0.0009","22.4328","0.0009","90","","90","","90","","5372.6","0.4","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C192 H160 Cd16 N48 O64 -","4","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry – rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.1019","0.0571","","","0.0979","0.1092","","","","","","1.09","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224456","39.7415","0.0016","14.3866","0.0006","15.6815","0.0006","90","","103.11","0.0016","90","","8732.1","0.6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 I2 O4 -","- C40 H46 I2 O4 -","- C320 H368 I16 O32 -","8","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.0918","0.0809","","0.23","0.2139","0.23","","","","","","0.9725","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224457","29.0803","0.001","9.4848","0.0003","15.2528","0.0005","90","","90","","90","","4207","0.2","180","","180","","","","101","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44.82 H53.64 O9.41 -","- C44.82 H53.64 O9.414 -","- C179.28 H214.56 O37.656 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54178","CuKα","","0.0522","0.0516","","0.1246","0.1244","0.1246","","","","","","1.0377","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224458","13.8543","0.001","13.8543","0.001","9.9079","0.001","90","","90","","90","","1901.7","0.3","180","","180","","","","101","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42.54 H45.07 Cl1.07 O6 -","- C42.536 H45.072 Cl1.072 O6 -","- C85.072 H90.144 Cl2.144 O12 -","2","0.25","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54184","CuKα","","0.0622","0.0584","","0.1459","0.1417","0.1459","","","","","","0.9885","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224459","13.23816","0.00015","35.6977","0.0007","30.7491","0.0004","90","","91.61","0.0012","90","","14525.4","0.4","120","","120","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C169 H198 Cl2 O26 -","- C169 H198 Cl2 O26 -","- C676 H792 Cl8 O104 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.1144","0.0919","","0.1617","0.1535","0.1616","","","","","","0.9319","","","","has coordinates,has disorder","301865","2025-08-22","16:16:51",""
"7224460","20.1608","0.0008","22.3481","0.0008","25.738","0.001","71.678","0.003","67.478","0.003","86.691","0.003","10142.9","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","AM30","","- C107.5 H109 Cu F12 N8 O10.5 P2 -","- C107.5 H109 Cu F12 N8 O10.5 P2 -","- C430 H436 Cu4 F48 N32 O42 P8 -","4","2","","Meyer, Andreas; Abdullin, Dinar; Schnakenburg, Gregor; Schiemann, Olav","Single and double nitroxide labeled bis(terpyridine)-copper(ii): influence of orientation selectivity and multispin effects on PELDOR and RIDME.","Physical chemistry chemical physics : PCCP","2016","18","13","9262","9271","10.1039/c5cp07621h","","","0.71073","MoKα","","0.1895","0.0614","","","0.1036","0.1242","","","","","","0.717","","","","has coordinates","301865","2025-08-22","16:16:51",""
"7224468","22.595","0.0003","25.026","0.0003","25.1004","0.0003","90","","109.726","0.001","90","","13360.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C209 H309 Cl2 N11 Nd10 O86 P4 S16 -","- C190 H220 Cl2 N8 Nd10 O76 P4 S16 -","- C380 H440 Cl4 N16 Nd20 O152 P8 S32 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0455","0.0371","","","0.0965","0.102","","","","","","1.018","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224469","22.16","0.0002","39.5294","0.0004","32.4297","0.0003","90","","105.798","0.001","90","","27334.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C215 H309 Cl3 N19 Nd11 O81 P6 S12 -","- C204 H272 Cl3 N16 Nd11 O76 P6 S12 -","- C816 H1088 Cl12 N64 Nd44 O304 P24 S48 -","4","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0906","0.0663","","","0.1667","0.179","","","","","","1.055","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224470","23.9081","0.0004","26.1353","0.0005","43.1391","0.0005","72.952","0.001","75.918","0.001","63.911","0.002","22938.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C326 H491 N23 Nd19 O159 P5 S20 -","- C279 H234 N12 Nd19 O134 P5 S20 -","- C558 H468 N24 Nd38 O268 P10 S40 -","2","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.1097","0.0662","","","0.181","0.1996","","","","","","1.074","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224479","27.509","0.003","7.6304","0.0008","16.2294","0.0017","90","","119.061","0.005","90","","2977.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N3 O4 Zn -","- C14 H10 N3 O4 Zn -","- C112 H80 N24 O32 Zn8 -","8","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0416","0.0342","","","0.092","0.0948","","","","","","1.057","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224480","10.2372","0.0003","27.0204","0.0007","8.738","0.0002","90","","95.568","0.001","90","","2405.64","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O7 Zn -","- C25 H23 N5 O7 Zn -","- C100 H92 N20 O28 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.069","0.0567","","","0.1376","0.1523","","","","","","1.15","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224481","11.3869","0.0005","8.3323","0.0004","13.9637","0.0006","90","","96.31","0.003","90","","1316.84","0.1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 N4 O6 Zn -","- C20 H14 N4 O6 Zn -","- C40 H28 N8 O12 Zn2 -","2","0.5","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0519","0.0415","","","0.1078","0.1115","","","","","","1.084","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224482","12.8815","0.0009","15.2513","0.0011","14.1699","0.001","90","","92.331","0.004","90","","2781.5","0.3","296","2","296","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","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0847","0.0469","","","0.1077","0.1175","","","","","","0.966","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224483","12.486","0.001","14.7786","0.001","13.7673","0.001","90","","104.077","0.003","90","","2464.1","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br N4 O18 S2 -","- C52 H50 Br N4 O18 S2 -","- C104 H100 Br2 N8 O36 S4 -","2","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0672","0.0386","","","0.0888","0.1009","","","","","","1.013","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224484","13.257","0.0005","13.257","0.0005","31.1199","0.0014","90","","90","","90","","5469.3","0.4","170","2","170","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H20 Br Cu N2 O4 -","- C26 H20 Br Cu N2 O4 -","- C208 H160 Br8 Cu8 N16 O32 -","8","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0969","0.0652","","","0.192","0.2188","","","","","","1.038","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224485","34.9259","0.0006","34.9259","0.0006","27.7797","0.0006","90","","90","","120","","29346.3","1","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H198 Br2 Mn4 N12 O81 -","- C180 H198 Br2.0001 Mn4 N12 O81 -","- C1080 H1188 Br12.0006 Mn24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1088","0.0615","","","0.1627","0.189","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224486","35.0155","0.0008","35.0155","0.0008","27.5842","0.0007","90","","90","","120","","29289.5","1.2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 Co4 N12 O81 -","- C180 H204 Br2.0001 Co4 N12 O81 -","- C1080 H1224 Br12.0006 Co24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0785","0.0492","","","0.1281","0.1436","","","","","","1.02","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224487","35.0383","0.0017","35.0383","0.0017","27.5617","0.0012","90","","90","","120","","29304","2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 N12 Ni4 O81 -","- C180 H204 Br2.0001 N12 Ni4 O81 -","- C1080 H1224 Br12.0006 N72 Ni24 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1001","0.0645","","","0.1729","0.1942","","","","","","1.033","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224488","12.1281","0.0002","16.5109","0.0003","23.7085","0.0005","90","","93.5049","0.001","90","","4738.65","0.15","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 Cd N3 O19 -","- C47 H52 Cd N3 O19 -","- C188 H208 Cd4 N12 O76 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0825","0.0439","","","0.0946","0.1123","","","","","","1","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224489","12.487","0.0006","16.035","0.0008","23.5332","0.0012","90","","94.808","0.0017","90","","4695.4","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 N3 O19 Zn -","- C47 H52 N3 O19 Zn -","- C188 H208 N12 O76 Zn4 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1814","0.0677","","","0.1422","0.1848","","","","","","0.985","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224490","11.9508","0.0016","17.898","0.002","16.975","0.002","90","","93.774","0.005","90","","3623","0.8","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cu2 N6 O15 -","- C34 H36 Cu2 N6 O15 -","- C136 H144 Cu8 N24 O60 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1744","0.09","","","0.1969","0.232","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224491","12.7183","0.0004","14.0183","0.0005","16.7134","0.0006","90","","110.776","0.0018","90","","2786.06","0.17","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl2 N O2.17 Zn -","- C13 H10 Cl2 N O2.16665 Zn -","- C104 H80 Cl16 N8 O17.3332 Zn8 -","8","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0703","0.0507","","","0.1601","0.1778","","","","","","1.062","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224492","8.1476","0.0017","8.2521","0.0018","12.398","0.003","80.843","0.008","72.38","0.007","67.642","0.007","733.8","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","1","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0966","0.0484","","","0.0942","0.1058","","","","","","0.989","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224493","12.247","0.009","13.34","0.02","8.315","0.008","90","","77.29","0.05","90","","1325","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-pyrenyl thiourea","","- C17 H12 N2 S -","- C17 H12 N2 S -","- C68 H48 N8 S4 -","4","1","","Đud, Mateja; Magdysyuk, Oxana V.; Margetić, Davor; Štrukil, Vjekoslav","Synthesis of monosubstituted thioureas by vapour digestion and mechanochemical amination of thiocarbamoyl benzotriazoles","Green Chem.","2016","18","9","2666","","10.1039/C6GC00089D","","","0.23307","","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224494","5.873","0.004","9.367","0.004","22.93","0.009","91.31","0.03","90","","90","","1261.1","1.1","25","2","","","","","","","","","","4","P 21/c 1 1","-P 2xac","14","","1-anthracenyl thiourea","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C60 H48 N8 S4 -","4","1","","Đud, Mateja; Magdysyuk, Oxana V.; Margetić, Davor; Štrukil, Vjekoslav","Synthesis of monosubstituted thioureas by vapour digestion and mechanochemical amination of thiocarbamoyl benzotriazoles","Green Chem.","2016","18","9","2666","","10.1039/C6GC00089D","","","0.23307","","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224499","36.657","0.003","36.657","0.003","10.461","0.0012","90","","90","","120","","12174","2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0969","0.0691","","","0.1869","0.2084","","","","","","1.147","","","","has coordinates","177566","2020-10-21","18:00:00",""
"7224500","7.372","0.004","21.35","0.011","9.953","0.006","90","","105.79","0.009","90","","1507.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[ZnCl(N3)(tzmb)]n","","","- C12 H10 Cl N9 Zn -","- C12 H10 Cl N9 Zn -","- C48 H40 Cl4 N36 Zn4 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0405","0.0376","","","0.1","0.1021","","","","","","1.043","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224501","8.026","0.002","16.449","0.004","12.895","0.003","90","","102.776","0.008","90","","1660.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Zn2Cl3(OH)(tzmb)]n","","","- C12 H11 Cl3 N6 O Zn2 -","- C12 H11 Cl3 N6 O Zn2 -","- C48 H44 Cl12 N24 O4 Zn8 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0627","0.0476","","","0.1176","0.125","","","","","","1.003","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224502","8.9251","0.0007","9.9975","0.0008","16.7168","0.0013","90","","90.338","0.006","90","","1491.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cd2(N3)2(C2O4)(tzmb)2]n","","","- C26 H20 Cd2 N18 O4 -","- C26 H20 Cd2 N18 O4 -","- C52 H40 Cd4 N36 O8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0306","0.0267","","","0.0647","0.0682","","","","","","1.108","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224503","10.467","0.003","13.587","0.004","11.9","0.004","90","","112.036","0.007","90","","1568.7","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","[ZnCl(N3)(tzmb)]2??H2O","","","- C24 H22 Cl2 N18 O Zn2 -","- C24 H20 Cl2 N18 O Zn2 -","- C48 H40 Cl4 N36 O2 Zn4 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0621","0.0522","","","0.128","0.1344","","","","","","1.063","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224504","33.046","0.004","9.0309","0.001","16.4592","0.0018","90","","90","","90","","4912","1","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H32 Mn N2 O8 -","- C24 H32 Mn N2 O8 -","- C192 H256 Mn8 N16 O64 -","8","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0523","0.0489","","","0.1259","0.1299","","","","","","1.06","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224505","9.7472","0.0009","22.777","0.002","7.0903","0.0007","90","","131.453","0.006","90","","1179.8","0.2","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C24 H32 Co N2 O8 -","- C24 H32 Co N2 O8 -","- C48 H64 Co2 N4 O16 -","2","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0476","0.0425","","","0.0894","0.0918","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224506","10.6102","0.001","21.855","0.002","22.183","0.002","90","","90","","90","","5143.9","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H34 Cl2 N2 O7 -","- C24 H34 Cl2 N2 O7 -","- C192 H272 Cl16 N16 O56 -","8","2","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.097","0.0641","","","0.1327","0.1515","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224507","9.261","0.003","10.162","0.003","21.929","0.007","90","","95.901","0.007","90","","2052.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 B N2 O2 -","- C26 H19 B N2 O2 -","- C104 H76 B4 N8 O8 -","4","1","","Deng, Ruiping; Li, Leijiao; Song, Mingxing; Zhao, Shuna; Zhou, Liang; Yao, Shuang","Synthesis and optoelectronic properties of oxadiazole coordinated boron complexes","CrystEngComm","2016","18","23","4382","","10.1039/C6CE00066E","","","0.71073","MoKα","","0.1326","0.0733","","","0.1669","0.2018","","","","","","0.987","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224508","10.9419","0.0004","11.4047","0.0005","14.4901","0.0007","97.473","0.004","107.198","0.004","105.458","0.004","1621.47","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0449","0.0356","","","0.0885","0.0934","","","","","","1.043","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224509","12.5634","0.0005","10.1057","0.0005","18.1729","0.0009","90","","105.024","0.005","90","","2228.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu4 N10 O18 -","- C38 H46 Cu4 N10 O18 -","- C76 H92 Cu8 N20 O36 -","2","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0489","0.0365","","","0.0832","0.0889","","","","","","1.008","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224510","10.1345","0.0007","10.674","0.0007","11.4983","0.0009","98.733","0.006","113.119","0.007","92.033","0.005","1124.48","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0556","0.039","","","0.0786","0.0855","","","","","","1.004","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224511","33.52","0.003","11.8717","0.0009","16.0987","0.0013","90","","105.855","0.002","90","","6162.6","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2.13 H3.02 Br0.26 N0.55 O0.04 -","- C2.12766 H2.89362 Br0.255319 N0.553191 O0.0425532 -","- C200 H272 Br24 N52 O4 -","94","11.75","","Chen, Fei-Jian; Gao, Zi-Hao; Liang, Li-Li; Zhang, Jun; Du, Hong-Bin","Facile preparation of extra-large pore zeolite ITQ-37 based on supramolecular assemblies as structure-directing agents","CrystEngComm","2016","18","15","2735","","10.1039/C5CE02312B","","","0.71073","MoKα","","0.1202","0.0553","","","0.1496","0.173","","","","","","1.072","","","","has coordinates","182647","2020-10-21","18:00:00",""
"7224512","16.9052","0.0011","15.7416","0.001","16.3948","0.0011","90","","90","","90","","4362.9","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrakisvinylpyridine bisisothiocyanato nickel(II) diindene","","- C48 H44 N6 Ni S2 -","- C48 H44 N6 Ni S2 -","- C192 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0402","0.0354","","","0.0939","0.0976","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224513","16.8137","0.0018","16.1198","0.0019","16.3865","0.0019","90","","90","","90","","4441.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) dinaphthalene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0731","0.0424","","","0.0744","0.0849","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224514","16.7378","0.0012","16.1297","0.0012","16.4588","0.0012","90","","90","","90","","4443.5","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) diazulene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0351","0.0276","","","0.0611","0.0643","","","","","","1.014","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224515","10.3322","0.001","16.8462","0.001","22.134","0.002","84.603","0.002","84.385","0.003","74.788","0.003","3690.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1403","0.0496","","","0.0911","0.1157","","","","","","1.001","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224516","10.1821","0.0006","23.1916","0.0014","28.6186","0.0017","74.602","0.001","85.683","0.001","81.596","0.001","6440.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C133 H122 N24 Ni4 S8 -","- C133 H112 N24 Ni4 S8 -","- C266 H224 N48 Ni8 S16 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1735","0.1101","","","0.263","0.2973","","","","","","1.033","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224517","10.4819","0.0009","16.8458","0.0014","22.569","0.0019","100.059","0.002","100.131","0.002","102.908","0.002","3727.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) phenanthrene.benzene","","- C80 H72 N12 Ni2 S4 -","- C80 H72 N12 Ni2 S4 -","- C160 H144 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0663","0.0445","","","0.1122","0.1254","","","","","","1.022","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224518","10.3117","0.0008","16.8992","0.0014","22.3886","0.0017","81.874","0.002","83.128","0.002","76.007","0.001","3732.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocycanato nickel(II) phenanthrene","","- C38.75 H34.25 N6 Ni S2 -","- C38.7499 H34.25 N6 Ni S1.9999 -","- C155 H137 N24 Ni4 S7.9996 -","4","2","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1261","0.0561","","","0.1454","0.1808","","","","","","1.007","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224519","10.1289","0.0004","16.477","0.0009","20.6537","0.001","100.43","0.002","97.129","0.003","105.351","0.003","3214.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) anthracene","","- C67 H56 N12 Ni2 S4 -","- C67 H56 N12 Ni2 S4 -","- C134 H112 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1188","0.0666","","","0.1707","0.1974","","","","","","1.031","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224520","10.9587","0.0007","12.1349","0.0008","19.7621","0.0012","93.907","0.001","91.426","0.001","97.878","0.001","2595.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) pyrene.methanol","","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0461","0.0365","","","0.1056","0.1138","","","","","","1.027","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224527","27.9705","0.0015","27.9705","0.0015","27.9705","0.0015","90","","90","","90","","21883","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 N3 O18 Tb2 -","- C42 H42 Cl3 N3 O18 Tb2 -","- C672 H672 Cl48 N48 O288 Tb32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0578","0.0517","","","0.1575","0.1616","","","","","","1.01","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224528","28.0835","0.0018","28.0835","0.0018","28.0835","0.0018","90","","90","","90","","22149","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H45 Cl3 N3 O18 Sm2 -","- C42 H39 Cl3 N3 O18 Sm2 -","- C672 H624 Cl48 N48 O288 Sm32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0647","0.0587","","","0.1858","0.1899","","","","","","1.143","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224529","27.8574","0.0012","27.8574","0.0012","27.8574","0.0012","90","","90","","90","","21618.3","1.6","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7 Cl0.5 Er0.33 N0.5 O3 -","- C7 H7 Cl0.5 Er0.333333 N0.5 O3 -","- C672 H672 Cl48 Er32 N48 O288 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0479","0.042","","","0.1253","0.1277","","","","","","1.169","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224530","27.9996","0.0006","27.9996","0.0006","27.9996","0.0006","90","","90","","90","","21951.1","0.8","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 Gd2 N3 O18 -","- C42 H42 Cl3 Gd2 N3 O18 -","- C672 H672 Cl48 Gd32 N48 O288 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0577","0.0492","","","0.1354","0.1395","","","","","","1.178","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224531","27.849","0.002","27.849","0.002","27.849","0.002","90","","90","","90","","21599","3","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7.67 Cl0.5 N0.5 O3.33 Yb0.33 -","- C7 H7.6666 Cl N0.5 O3.3333 Yb0.333333 -","- C672 H735.994 Cl96 N48 O319.997 Yb32 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0633","0.0579","","","0.1869","0.1928","","","","","","1.103","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224532","12.7068","0.0018","13.1565","0.0016","17.082","0.003","73.022","0.004","83.299","0.005","63.09","0.004","2435.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H76 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0509","0.0444","","","0.1342","0.1455","","","","","","1.077","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224533","12.0203","0.0002","14.7565","0.0004","16.2297","0.0004","95.69","0.002","109.65","0.002","92.242","0.002","2689.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H108 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0365","0.0297","","","0.0714","0.0756","","","","","","1.048","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224534","11.9641","0.0003","12.0257","0.0004","16.0944","0.0005","102.457","0.003","96.489","0.003","113.464","0.003","2022.34","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H80 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0513","0.0454","","","0.0955","0.0998","","","","","","1.029","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224535","7.4761","0.0005","18.313","0.0014","25.1258","0.0018","90","","93.708","0.002","90","","3432.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O6 S Zn -","- C38 H27 N5 O6 S Zn -","- C152 H108 N20 O24 S4 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1323","0.0521","","","0.1112","0.1518","","","","","","0.989","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224536","12.2467","0.0019","19.625","0.003","13.998","0.002","90","","97.063","0.004","90","","3338.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 N5 O4 Zn -","- C36 H25 N5 O4 Zn -","- C144 H100 N20 O16 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1544","0.0687","","","0.1879","0.2451","","","","","","0.987","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224537","10.015","0.007","11.864","0.009","12.319","0.009","98.31","0.014","99.091","0.014","91.291","0.014","1428.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0606","0.0383","","","0.0976","0.1168","","","","","","1.106","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224538","12.4152","0.0009","9.8806","0.0007","27.299","0.002","90","","97.276","0.002","90","","3321.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H58 N10 O8 Zn2 -","- C80 H58 N10 O8 Zn2 -","- C160 H116 N20 O16 Zn4 -","2","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1373","0.0545","","","0.1286","0.1844","","","","","","1.035","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224539","16.8782","0.0007","21.3492","0.0009","20.0506","0.0011","90","","112.197","0.001","90","","6689.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H29 Cd N5 O6 -","- C38 H27 Cd N5 O6 -","- C304 H216 Cd8 N40 O48 -","8","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.057","0.0325","","","0.0862","0.1157","","","","","","1.119","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224540","9.7159","0.0019","11.154","0.002","16.493","0.003","72.729","0.003","78.866","0.004","85.786","0.004","1674.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0734","0.0459","","","0.124","0.1509","","","","","","1.08","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224541","9.8926","0.0016","13.378","0.002","19.747","0.003","97.526","0.003","100.724","0.003","97.005","0.003","2516.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 Cd3 N12 O14 -","- C90 H62 Cd3 N10 O12 -","- C90 H62 Cd3 N10 O12 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0857","0.0609","","","0.1801","0.1905","","","","","","1.025","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224542","18.2405","0.0016","35.036","0.002","22.8447","0.0014","90","","101.071","0.008","90","","14327.8","1.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N8 Na4 O116 P2 W18 Yb2 -","- C56 H64 N8 Na4 O116 P2 W18 Yb2 -","- C224 H256 N32 Na16 O464 P8 W72 Yb8 -","4","0.5","","Reddy, Pulikanti Guruprasad; Mamidi, Narsimha; Pradeep, Chullikkattil P.","An organic–inorganic hybrid supramolecular framework material based on a [P2W18O62]6−cluster and Yb & Na complexes of pyridine-2,6-dicarboxylic acid: a catalyst for selective oxidation of sulfides in water with H2O2","CrystEngComm","2016","18","23","4272","","10.1039/C5CE02546J","","","0.71073","MoKα","","0.1233","0.0849","","","0.2288","0.2872","","","","","","1.048","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7224547","17.342","0.0003","15.8773","0.0002","18.855","0.0003","90","","90","","90","","5191.61","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1822","0.1884","","","","","","1.122","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224548","14.6252","0.0007","16.5703","0.0007","10.4179","0.0005","90","","90","","90","","2524.7","0.2","273","2","273.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","2","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","0.71073","MoKα","","0.0737","0.0691","","","0.2073","0.2112","","","","","","1.117","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224550","24.9004","0.0016","7.9696","0.0006","27.613","0.002","90","","90","","90","","5479.7","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H54 Co N12 O12 -","- C54 H52 Co N12 O12 -","- C216 H208 Co4 N48 O48 -","4","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","","0.71073","MoKα","","0.1167","0.0804","","","0.2067","0.2357","","","","","","1.064","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224551","11.6287","0.0003","8.0502","0.0002","23.5159","0.0006","90","","103.876","0.003","90","","2137.16","0.1","185","0.1","185","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Co N10 O8 -","- C48 H32 Co N10 O8 -","- C96 H64 Co2 N20 O16 -","2","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0496","0.0442","","","0.1167","0.1215","","","","","","1.037","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224552","6.702","0.0003","11.4636","0.0004","17.2245","0.0006","106.65","0.003","91.064","0.004","98.714","0.004","1250.54","0.09","185","0.1","185","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","1","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0886","0.0909","","","","","","1.05","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224553","11.844","0.005","18.268","0.008","16.34","0.007","90","","103.291","0.005","90","","3441","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl4 Fe N2 -","- C34 H39 Cl4 Fe N2 -","- C136 H156 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.1665","0.1078","","","0.3086","0.3658","","","","","","0.948","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224554","19.428","0.003","14.4576","0.0015","11.916","0.0016","90","","90","","90","","3347","0.8","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl4 Fe N2 -","- C34 H38 Cl4 Fe N2 -","- C136 H152 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","1.54178","CuKα","","0.2161","0.1086","","","0.293","0.3592","","","","","","1.08","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224555","17.33","0.03","11.523","0.017","14.65","0.02","90","","106.739","0.017","90","","2802","7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N2 -","- C34 H38 N2 -","- C136 H152 N8 -","4","0.5","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.0889","0.0539","","","0.1376","0.1607","","","","","","1","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224556","13.295","0.011","14.652","0.013","15.117","0.013","90","","103.464","0.016","90","","2864","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N4 O12 Zn2 -","- C28 H17 N4 O12 Zn2 -","- C112 H68 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1273","0.0681","","","0.1756","0.21","","","","","","0.879","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224557","7.9827","0.0003","14.5526","0.0005","22.379","0.0011","90","","102.608","0.005","90","","2537.06","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 O12 Zn2 -","- C26 H12 N4 O12 Zn2 -","- C104 H48 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1568","0.1465","","","0.2996","0.3159","","","","","","1.137","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224558","11.5833","0.0005","11.7884","0.0005","13.8783","0.0006","96.027","0.008","92.924","0.006","107.066","0.009","1794.92","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 N6 O12 Zn -","- C40 H22 N6 O12 Zn -","- C80 H44 N12 O24 Zn2 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1775","0.1124","","","0.2373","0.3151","","","","","","1.069","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224559","13.0719","0.0006","22.534","0.0011","16.8938","0.0008","90","","99.908","0.001","90","","4902.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 Cd3 N4 O27 -","- C32 H8 Cd3 N4 O27 -","- C128 H32 Cd12 N16 O108 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0461","0.0369","","","0.1145","0.1204","","","","","","1.008","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224560","7.52","0.007","15.85","0.015","22.8","0.02","90","","90.031","0.017","90","","2718","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H13 Cd2 N5 O12 -","- C26 H13 Cd2 N5 O12 -","- C104 H52 Cd8 N20 O48 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0977","0.0607","","","0.1481","0.1652","","","","","","1.032","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224561","9.8097","0.0014","11.9458","0.0017","13.1508","0.0019","99.002","0.002","93.161","0.002","110.61","0.002","1414.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Ag2 N4 O12 -","- C29 H20 Ag2 N4 O12 -","- C58 H40 Ag4 N8 O24 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0517","0.0466","","","0.1522","0.1727","","","","","","1.022","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224562","9.782","0.005","13.006","0.007","16.517","0.009","105.994","0.009","93.197","0.008","109.106","0.009","1884","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Co2 N6 O14 -","- C40 H24 Co2 N6 O14 -","- C80 H48 Co4 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0971","0.0691","","","0.1731","0.247","","","","","","1.016","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224563","9.7979","0.0014","12.993","0.0018","16.45","0.002","106.174","0.002","93.467","0.002","108.962","0.002","1875.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N6 Ni2 O14 -","- C40 H24 N6 Ni2 O14 -","- C80 H48 N12 Ni4 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0942","0.0622","","","0.1482","0.227","","","","","","1.006","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224564","10.059","0.002","11.605","0.003","16.86","0.004","77.458","0.004","79.847","0.004","79.381","0.004","1869.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Co N6 O14 -","- C40 H22 Co N6 O14 -","- C80 H44 Co2 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1228","0.0786","","","0.2095","0.3123","","","","","","0.97","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224565","13.23","0.002","14.587","0.003","15.124","0.003","90","","98.618","0.003","90","","2885.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 N4 O12 Zn2 -","- C28 H14 N4 O12 Zn2 -","- C112 H56 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0954","0.0826","","","0.2185","0.2311","","","","","","1.054","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224566","9.9263","0.0003","15.4568","0.0005","12.4445","0.0004","90","","96.737","0.003","90","","1896.16","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N5 O4 -","- C20 H21 N5 O4 -","- C80 H84 N20 O16 -","4","1","","Zhang, Xiaofeng; Zhi, Sanjun; Wang, Wei; Liu, Shuai; Jasinski, Jerry P.; Zhang, Wei","A pot-economical and diastereoselective synthesis involving catalyst-free click reaction for fused-triazolobenzodiazepines","Green Chem.","2016","18","9","2642","","10.1039/C6GC00497K","","","1.54184","CuKα","","0.0457","0.0416","","","0.1093","0.1141","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224567","6.477","0.0005","10.584","0.0011","12.778","0.0014","85.883","0.005","86.565","0.006","75.6","0.006","845.45","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Ofer10","semiaza-glycoluril","","- C12 H20 F3 N5 O4 S -","- C12 H20 F3 N5 O4 S -","- C24 H40 F6 N10 O8 S2 -","2","1","","Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud","Enhanced anion binding by heteroatom replacement in bambusurils.","Physical chemistry chemical physics : PCCP","2016","18","19","13180","13185","10.1039/c6cp00442c","","","0.71073","MoKα","","0.0892","0.0834","","","0.2142","0.224","","","","","","1.208","","","","has coordinates","183796","2020-10-21","18:00:00",""
"7224568","6.563","0.0001","14.3405","0.0003","15.7391","0.0004","90","","94.225","0.001","90","","1477.29","0.05","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","N-methyl iminium glycoluril triflate salt","aza-glycoluril","","- C10 H18 F3 N5 O4 S -","- C10 H18 F3 N5 O4 S -","- C40 H72 F12 N20 O16 S4 -","4","1","","Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud","Enhanced anion binding by heteroatom replacement in bambusurils.","Physical chemistry chemical physics : PCCP","2016","18","19","13180","13185","10.1039/c6cp00442c","","","0.71073","MoKα","","0.0307","0.0289","","","0.0743","0.0756","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224569","10.389","0.003","10.393","0.003","11.05","0.003","84.703","0.004","67.159","0.004","82.242","0.004","1088.4","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 F6 O P Ru -","- C20 H29 F6 O P Ru -","- C40 H58 F12 O2 P2 Ru2 -","2","1","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.0292","0.0256","","","0.0579","0.0597","","","","","","1.06","","","","has coordinates","182796","2020-10-21","18:00:00",""
"7224570","7.928","0.003","9.542","0.004","16.403","0.006","98.073","0.005","101.571","0.004","103.61","0.004","1158.3","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H29 F2 N O5 Ru S2 -","- C20 H29 F2 N O5 Ru S2 -","- C40 H58 F4 N2 O10 Ru2 S4 -","2","1","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.061","0.0577","","","0.1556","0.1629","","","","","","1.114","","","","has coordinates","204137","2020-10-21","18:00:00",""
"7224571","7.24","0.0009","18.137","0.002","18.786","0.002","114.703","0.001","94.018","0.002","97.896","0.002","2197.4","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 F6 O P Ru -","- C20 H29 F6 O P Ru -","- C80 H116 F24 O4 P4 Ru4 -","4","2","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.0286","0.0258","","","0.0656","0.0679","","","","","","1.038","","","","has coordinates,has disorder","182796","2020-10-21","18:00:00",""
"7224572","4.7283","0.0004","5.7208","0.0004","5.0331","0.0005","90","","90","","90","","136.14","0.02","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Nb2.667 O8 Zn1.333 -","- Nb2.6668 O8 Zn1.3332 -","- Nb2.6668 O8 Zn1.3332 -","1","0.125","","Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia","Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6","CrystEngComm","2016","18","16","2929","","10.1039/C5CE01828E","","x-ray","0.71073","MoKα","","0.0188","0.0151","","","0.0136","0.015","","","","1.18","1.18","1.17","","","","has coordinates","182652","2020-10-21","18:00:00",""
"7224573","8.044","0.002","9.357","0.002","9.822","0.002","111.23","0.002","107.301","0.002","104.268","0.002","603.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","1","0.5","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder–order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0324","0.0321","","","0.0901","0.0904","","","","","","1.085","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224574","10.649","0.004","10.677","0.004","10.799","0.004","94.771","0.004","100.757","0.004","95.748","0.004","1193.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C12 H68 Cu2 N8 O40 S8 -","2","1","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder–order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0276","0.0261","","","0.0764","0.0786","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224575","13.7632","0.0003","7.3472","0.0002","18.3748","0.0004","90","","107.385","0.002","90","","1773.2","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C64 H124 N4 O16 S4 -","4","2","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order–disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","1.54178","CuKα","","0.0354","0.0292","","","0.0795","0.0857","","","","","","0.992","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224576","9.3694","0.0003","7.3823","0.0002","13.8573","0.0004","90","","105.537","0.003","90","","923.45","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C32 H62 N2 O8 S2 -","2","1","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order–disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","0.71073","MoKα","","0.0547","0.0481","","","0.13","0.1372","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224582","10.2312","0.001","11.0797","0.0012","16.1049","0.001","95.135","0.007","92.045","0.006","113.333","0.01","1664.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 Mg1.5 N2 O12 -","- C33 H31 Mg1.5 N2 O12 -","- C66 H62 Mg3 N4 O24 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0744","0.0514","","","0.1158","0.1292","","","","","","1.016","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224583","11.6875","0.0012","12.7337","0.001","16.6287","0.0007","107.084","0.006","106.16","0.007","98.287","0.008","2202.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 Mg1.5 N2 O11 -","- C35 H33 Mg1.5 N2 O11 -","- C70 H66 Mg3 N4 O22 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0965","0.0671","","","0.1896","0.2108","","","","","","1.013","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224584","14.6854","0.0004","17.3507","0.0007","17.565","0.0008","71.291","0.004","75.262","0.003","66.322","0.003","3841.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 Ca2.5 N2 O21 -","- C72 H70 Ca2.5 N2 O21 -","- C144 H140 Ca5 N4 O42 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0835","0.0555","","","0.1526","0.1678","","","","","","1.028","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224585","16.1122","0.0008","19.1301","0.0006","19.9491","0.0006","113.359","0.003","103.862","0.004","91.934","0.003","5423","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H85 Ca3 N3 O23 -","- C78 H85 Ca3 N3 O23 -","- C156 H170 Ca6 N6 O46 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.1331","0.0889","","","0.2663","0.3045","","","","","","1.004","","","","has coordinates,has disorder","182649","2020-10-21","18:00:00",""
"7224586","7.9089","0.0004","11.4057","0.0006","12.6968","0.0006","65.743","0.002","77.931","0.002","85.251","0.002","1021.13","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1","","- C21 H16 N2 O6 Pb S -","- C21 H16 N2 O6 Pb S -","- C42 H32 N4 O12 Pb2 S2 -","2","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.0175","0.0167","","","0.0407","0.041","","","","","","1.067","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224587","47.233","0.006","11.4571","0.0017","25.455","0.004","90","","119.856","0.007","90","","11947","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C62 H62 N10 O14 S2 Zn2 -","- C62 H62 N10 O14 S2 Zn2 -","- C496 H496 N80 O112 S16 Zn16 -","8","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.1626","0.111","","","0.2781","0.3087","","","","","","1.089","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224588","21.368","0.0011","14.5156","0.0009","18.5708","0.0009","90","","105.412","0.005","90","","5553","0.5","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Cp1","","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C232 H192 Cl8 Cu8 N24 O8 P8 S8 -","4","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","0.71073","MoKα","","0.075","0.055","","","0.17","0.183","","","","","","1.117","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224589","14.862","0.0003","9.93191","0.00019","18.7016","0.0004","90","","99.793","0.002","90","","2720.28","0.1","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","CuCl 542","","- C29 H24 Cl Cu N3 O P S -","- C29 H24 Cl Cu N3 O P S -","- C116 H96 Cl4 Cu4 N12 O4 P4 S4 -","4","1","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0669","0.0378","","","0.0852","0.1325","","","","","","1.142","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224590","8.6008","0.0002","11.9216","0.0004","13.5031","0.0004","98.28","0.003","90.093","0.002","94.468","0.002","1365.83","0.07","173","","173","","","","","","","","","8","P -1","-P 1","2","","CuCl 556","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.032","0.0279","","","0.0731","0.0758","","","","","","1.045","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224591","8.6337","0.0006","13.7145","0.001","14.4014","0.0012","70.112","0.007","83.697","0.006","71.99","0.006","1524.9","0.2","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp3","","","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0517","0.0427","","","0.1074","0.114","","","","","","0.998","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224592","8.5296","0.0009","13.6245","0.0018","14.4843","0.0017","69.313","0.011","83.252","0.009","72.076","0.01","1498.2","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp2","","","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0994","0.0653","","","0.1665","0.1845","","","","","","1.088","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224593","8.747","0.004","11.406","0.005","16.58","0.006","80.72","0.03","85.21","0.03","85.46","0.04","1623.2","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F N O4 -","- C19 H16 F N O4 -","- C76 H64 F4 N4 O16 -","4","2","","Ahankar, Hamideh; Ramazani, Ali; Ślepokura, Katarzyna; Lis, Tadeusz; Joo, Sang Woo","Synthesis of pyrrolidinone derivatives from aniline, an aldehyde and diethyl acetylenedicarboxylate in an ethanolic citric acid solution under ultrasound irradiation","Green Chem.","2016","18","12","3582","","10.1039/C6GC00157B","","","0.71073","MoKα","","0.1212","0.0678","","","0.1539","0.1707","","","","","","1.004","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224603","10.2549","0.0012","11.3783","0.0013","16.1872","0.0018","72.094","0.003","76.795","0.003","86.411","0.003","1749.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H54 N4 O18 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","1","0.5","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1102","0.0656","","","0.1625","0.1907","","","","","","0.98","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224604","16.1582","0.0011","15.99","0.001","16.2334","0.001","90","","90.681","0.002","90","","4193.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 N3 Ni2 O15 Si -","- C37 H23 N3 Ni2 O15.296 Si -","- C148 H92 N12 Ni8 O61.184 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0679","0.0524","","","0.1604","0.175","","","","","","0.955","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224605","10.4707","0.0009","24.487","0.002","17.3547","0.0016","90","","91.331","0.002","90","","4448.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Co2 N O13 Si -","- C31 H23 Co2 N O13 Si -","- C124 H92 Co8 N4 O52 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0745","0.0501","","","0.1282","0.1376","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224606","12.2029","0.0013","13.6985","0.0016","14.853","0.0017","104.571","0.002","107.562","0.002","102.41","0.002","2174.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H24 Co2 N3 O11.5 Si -","- C43 H24 Co2 N3 O11.5 Si -","- C86 H48 Co4 N6 O23 Si2 -","2","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1022","0.0736","","","0.228","0.255","","","","","","1.055","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224607","16.5492","0.0019","14.8523","0.0015","17.7313","0.0018","90","","112.758","0.002","90","","4018.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N3 O10 Si Zn2 -","- C36 H27 N3 O10 Si Zn2 -","- C144 H108 N12 O40 Si4 Zn8 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0866","0.064","","","0.2043","0.2227","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224608","28.9402","0.0009","4.8707","0.0002","17.3118","0.0006","90","","107.785","0.002","90","","2323.63","0.15","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C104 H128 N8 O16 -","4","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.0568","0.0528","","","0.1502","0.1521","","","","","","1.213","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224609","18.8248","0.001","4.6921","0.0003","21.4035","0.0011","90","","100.903","0.003","90","","1856.4","0.18","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 O4 -","- C42 H64 N2 O4 -","- C84 H128 N4 O8 -","2","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.068","0.0446","","","0.11","0.1234","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224610","10.5851","0.0004","10.7883","0.0005","12.8727","0.0008","73.878","0.002","67.677","0.002","81.16","0.002","1304.43","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')(mu-2-diaminobenzene-1,4-dicarboxylato-k2O,O':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0278","0.0234","","","0.0549","0.0559","","","","","","1.088","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224611","10.7673","0.0009","11.0209","0.001","13.0918","0.0011","105.064","0.002","94.854","0.003","93.847","0.003","1488.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[(mu-9,10-anthracenedicarboxylato-k2O,O':k2O'',O''')(mu4-9,10-anthracenedicarboxylato-kO:kO':kO'':kO''')(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')tetra(dimethylformamide)didysprosium(III)]","","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0783","0.0519","","","0.1016","0.1082","","","","","","1.021","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224612","24.5907","0.0008","17.8811","0.0008","25.0765","0.0009","90","","104.335","0.002","90","","10683","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(mu4-5-cyanide-1,3-dicarboxylato-kO:kO':kO'':kO''')bis(mu3-5-cyanide-1,3-dicarboxylato-kO:kO':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C39 H37 Dy2 N7 O16 -","- C39 H37 Dy2 N7 O16 -","- C312 H296 Dy16 N56 O128 -","8","1","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0328","0.0251","","","0.0591","0.0614","","","","","","1.053","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224613","27.5538","0.0005","27.5538","0.0005","22.0582","0.0005","90","","90","","120","","14503.2","0.5","296","2","296","2","","","","","","","","8","P 63","P 6c","173","","","","- C36 H176 N9 Na9 O223 Se6 Sn6 W54 -","- C36 N9 Na3 O222 Se6 Sn6 W54 -","- C72 N18 Na6 O444 Se12 Sn12 W108 -","2","0.333333","","Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18−","CrystEngComm","2016","18","16","2820","","10.1039/C6CE00377J","","","0.71073","MoKα","","0.0426","0.0365","","","0.0877","0.0904","","","","","","1.016","","","","has coordinates","182651","2020-10-21","18:00:00",""
"7224614","7.7346","0.0007","14.8899","0.0013","23.801","0.002","90","","94.674","0.009","90","","2732","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.085","0.0531","","","0.0963","0.1089","","","","","","1.054","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224615","7.7581","0.0014","15.139","0.003","23.695","0.006","90","","93.796","0.018","90","","2776.9","1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.1048","0.0611","","","0.106","0.1217","","","","","","1.044","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224616","7.9867","0.0004","14.6323","0.0006","28.1005","0.0015","90","","93.36","0.005","90","","3278.3","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0709","0.0603","","","0.1497","0.1599","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224617","8.0689","0.0004","14.7987","0.0006","28.0208","0.0012","90","","92.552","0.004","90","","3342.6","0.3","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0745","0.0591","","","0.1481","0.1636","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224618","8.6431","0.0003","12.538","0.0005","16.8933","0.0007","100.234","0.003","97.965","0.003","101.09","0.003","1739.4","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)bis-(1,2-dichloroethane) solvate","","- C34 H24 Cl4 Fe N10 S2 -","- C34 H24 Cl4 Fe N10 S2 -","- C68 H48 Cl8 Fe2 N20 S4 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0496","0.042","","","0.1074","0.1125","","","","","","1.037","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224619","13.329","0.0009","16.1844","0.0009","17.3536","0.0008","90","","110.324","0.007","90","","3510.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0462","0.0375","","","0.0896","0.0953","","","","","","1.018","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224620","13.526","0.0006","16.3143","0.0006","17.8163","0.0008","90","","110.291","0.005","90","","3687.5","0.3","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0733","0.0464","","","0.1117","0.128","","","","","","1.01","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224621","24.6343","0.0009","21.2193","0.0004","18.1944","0.0005","90","","104.239","0.003","90","","9218.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris-[dipyrido[3,2-a:23-c]phenazine]iron(II) diperchlorate","","- C54 H30 Cl2 Fe N12 O8 -","- C54 H30 Cl2 Fe N12 O8 -","- C432 H240 Cl16 Fe8 N96 O64 -","8","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.6998","synchrotron","","0.0856","0.0637","","","0.1646","0.1819","","","","","","1.024","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224622","9.7973","0.0002","23.8139","0.0008","27.5891","0.0006","95.037","0.002","98.452","0.002","93.612","0.002","6323.5","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Tris[dipyrido[3,2-a:23-c]benzo[i]phenazine]iron(II) di-tetrafluoroborate hydrate tris-methanol solvate","","- C69 H50 B2 F8 Fe N12 O4 -","- C67.5 H42 B2 F8 Fe N12 O2.2 -","- C270 H168 B8 F32 Fe4 N48 O8.8 -","4","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.1237","0.0851","","","0.2313","0.2698","","","","","","1.036","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224623","13.3521","0.0004","16.1985","0.0005","17.4429","0.0004","90","","110.287","0.003","90","","3538.6","0.19","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0513","","","0.129","0.1445","","","","","","1.021","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224624","13.4396","0.0003","16.2494","0.0003","17.5932","0.0004","90","","110.306","0.002","90","","3603.32","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0491","","","0.1222","0.1389","","","","","","1.027","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224625","13.4781","0.0009","16.2943","0.0012","17.6998","0.0012","90","","110.31","0.008","90","","3645.5","0.5","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0923","0.0589","","","0.1517","0.186","","","","","","1.031","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224626","9.1639","0.0009","21.32","0.002","10.0007","0.001","90","","109.652","0.001","90","","1840.1","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21.18 N2 O2.59 -","- C22 H21.178 N2 O2.589 -","- C88 H84.712 N8 O10.356 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0522","0.0444","","","0.1025","0.1072","","","","","","1.083","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224627","8.2411","0.0001","14.0973","0.0002","16.1938","0.0002","90","","90","","90","","1881.35","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","1.54178","CuKα","","0.03","0.0291","","","0.071","0.0718","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224628","8.3899","0.0007","8.3899","0.0007","27.226","0.002","90","","90","","90","","1916.4","0.3","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H10 N O2 S -","- C10 H10 N O2 S -","- C80 H80 N8 O16 S8 -","8","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0286","0.0271","","","0.0719","0.0729","","","","","","1.101","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224629","12.224","0.0003","13.6903","0.0003","14.0756","0.0009","90.71","0.006","105.688","0.007","90.843","0.006","2267.23","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Gd2 Na2 O67.07 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","1","0.5","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.0457","0.0443","","","0.1102","0.111","","","","","","1.12","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224630","16.504","0.004","23.227","0.003","38.406","0.007","73.798","0.012","80.363","0.016","85.658","0.015","13932","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H96 O195 S24 Tb8 -","- C168 H96 O195 S24 Tb8 -","- C336 H192 O390 S48 Tb16 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1324","0.0838","","","0.2125","0.2453","","","","","","0.823","","","","has coordinates","185201","2020-10-21","18:00:00",""
"7224631","11.9482","0.001","12.3059","0.0008","15.2457","0.0012","68.694","0.005","77.073","0.006","89.16","0.006","2030","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cl2 O23 S4 -","- C29 H32 Cl2 O23 S4 -","- C58 H64 Cl4 O46 S8 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1462","0.0676","","","0.1521","0.176","","","","","","0.828","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224632","9.4916","0.0009","18.1887","0.0017","22.275","0.002","91.579","0.001","97.329","0.001","102.755","0.001","3713.8","0.6","173","2","173","2","","","","","","","No.","5","P -1","-P 1","2","pCF3DTDA","4-(4-trifluormethylphenyl)-1,2,3,5-dithiadiazolyl","","- C8 H4 F3 N2 S2 -","- C8 H4 F3 N2 S2 -","- C128 H64 F48 N32 S32 -","16","8","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.1396","0.054","","","0.093","0.1185","","","","","","0.973","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224633","11.4543","0.001","11.7399","0.001","13.948","0.0012","73.364","0.001","73.247","0.001","82.579","0.001","1718.6","0.3","263","2","263","2","","","101","","","","","6","P -1","-P 1","2","4-(4-Trifluoromethylphenyl)-1,2,3,5-dithiadiazolyl triphenylstibine 2:1","2,7-bis[4-(trifluoromethyl)phenyl]-4/l4,5/l4,9/l4,10/l4-tetrathieto[1,2-a:3,4-a']bis[1,2,3,5]dithiadiazole triphenylstibine","","- C34 H23 F6 N4 S4 Sb -","- C34 H23 F6 N4 S4 Sb -","- C68 H46 F12 N8 S8 Sb2 -","2","1","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.0404","0.0313","","","0.0789","0.0864","","","","","","1.054","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224634","31.614","0.002","14.2436","0.0004","24.503","0.001","90","","124.645","0.007","90","","9077.3","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H47 Br3 Cl2 N6 O3 -","- C43 H47 Br3 Cl2 N6 O3 -","- C344 H376 Br24 Cl16 N48 O24 -","8","1","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","0.71073","MoKα","","0.0733","0.0448","","","0.0817","0.0911","","","","","","1.02","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224635","14.1389","0.0002","20.7594","0.0002","32.7591","0.0004","90","","100.665","0.001","90","","9449.2","0.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H57 N7 O3 -","- C46 H55.5 N6.5 O3 -","- C368 H444 N52 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0632","0.054","","","0.1496","0.1562","","","","","","1.037","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224636","17.3951","0.0003","26.2912","0.0004","27.8638","0.0005","90","","106.088","0.002","90","","12244.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H75 N7 O3 -","- C56 H75 N7 O3 -","- C448 H600 N56 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0754","0.0517","","","0.129","0.1392","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224637","9.5522","0.0004","9.5522","0.0004","9.5522","0.0004","90","","90","","90","","871.59","0.06","295","1","295","1","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C10 H15 F -","- C10 H15 F -","- C40 H60 F4 -","4","0.0208333","","Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll","Structure and reorientational dynamics of 1-F-adamantane.","Physical chemistry chemical physics : PCCP","2016","18","16","10924","10930","10.1039/c6cp01144f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","182797","2020-10-21","18:00:00",""
"7224638","6.7776","0.0003","6.7776","0.0003","8.8235","0.0005","90","","90","","90","","405.32","0.03","100","1","100","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C10 H15 F -","- C10 H15 F -","- C20 H30 F2 -","2","0.25","","Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll","Structure and reorientational dynamics of 1-F-adamantane.","Physical chemistry chemical physics : PCCP","2016","18","16","10924","10930","10.1039/c6cp01144f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","182797","2020-10-21","18:00:00",""
"7224648","20.164","0.004","16.345","0.005","16.679","0.005","90","","90","","90","","5497","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C87 H72 La2 N2 O40 -","- C87 H72 La2 N2 O40 -","- C174 H144 La4 N4 O80 -","2","0.5","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.1004","0.0685","","","0.1849","0.2095","","","","","","1.037","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224649","20.052","0.007","16.35","0.004","16.623","0.004","90","","90","","90","","5450","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Lu N O20 -","- C44 H36 Lu N O20 -","- C176 H144 Lu4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.078","0.0584","","","0.1549","0.1698","","","","","","1.076","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224650","20.14","0.004","16.625","0.003","16.701","0.003","90","","90","","90","","5592","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Gd N O20 -","- C44 H36 Gd N O20 -","- C176 H144 Gd4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0453","0.0406","","","0.1076","0.1096","","","","","","1.096","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224651","20.285","0.004","16.776","0.003","16.805","0.003","90","","90","","90","","5718.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N O20 Pr -","- C44 H36 N O20 Pr -","- C176 H144 N4 O80 Pr4 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0689","0.0375","","","0.0856","0.0924","","","","","","0.858","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224652","9.4321","0.0019","23.555","0.005","16.669","0.003","90","","102.81","0.03","90","","3611.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H47 La2 O31 -","- C58 H47 La2 O31 -","- C116 H94 La4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0593","0.0497","","","0.1334","0.1475","","","","","","1.054","","","","has coordinates,has disorder","182657","2020-10-21","18:00:00",""
"7224653","9.4048","0.0019","23.598","0.005","16.683","0.003","90","","102.47","0.03","90","","3615.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 Ce2 O31 -","- C58 H48 Ce2 O31 -","- C116 H96 Ce4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0735","0.055","","","0.1364","0.1472","","","","","","0.981","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224654","9.333","0.0009","23.444","0.002","16.4638","0.0015","90","","103.628","0.001","90","","3500.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 O31 Pr2 -","- C58 H48 O31 Pr2 -","- C116 H96 O62 Pr4 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0513","0.0475","","","0.1284","0.1321","","","","","","1.055","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224655","9.3238","0.0019","23.424","0.005","16.73","0.003","90","","102.7","0.03","90","","3564.5","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H45 Nd2 O31 -","- C57 H45 Nd2 O31 -","- C114 H90 Nd4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0759","0.0558","","","0.1435","0.1784","","","","","","1.081","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224656","20.195","0.004","16.765","0.003","16.778","0.003","90","","90","","90","","5680.5","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Ce N O20 -","- C44 H36 Ce N O20 -","- C176 H144 Ce4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.036","0.0342","","","0.0972","0.0985","","","","","","1.05","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224657","20.169","0.004","16.722","0.003","16.759","0.003","90","","90","","90","","5652.2","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N Nd O20 -","- C44 H36 N Nd O20 -","- C176 H144 N4 Nd4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0456","0.04","","","0.1152","0.1181","","","","","","1.058","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224658","7.2055","0.0003","10.5292","0.0004","13.3705","0.0005","79.615","0.0014","75.18","0.0015","75.853","0.0015","943.38","0.06","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.025","","","0.0542","0.0574","","","","","","1.026","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224659","7.2017","0.0005","10.522","0.0007","13.3762","0.0009","79.622","0.003","75.172","0.003","75.896","0.003","942.78","0.11","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C32 H40 Co0.24 N4 O24 Zn2.76 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0596","0.0384","","","0.0682","0.0743","","","","","","1.019","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224660","7.2538","0.0004","10.5659","0.001","13.3762","0.0009","79.593","0.007","75.556","0.005","75.382","0.007","953.04","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C32 H40 Co0.6 N4 O24 Zn2.4 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0392","0.0311","","","0.0738","0.0797","","","","","","1.029","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224661","7.2078","0.0003","10.5186","0.0004","13.3785","0.0005","79.506","0.0014","75.031","0.0015","75.782","0.0015","942.21","0.06","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.026","","","0.0547","0.0576","","","","","","1.062","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224662","28.2608","0.0003","17.9257","0.0003","10.2348","0.0001","90","","90","","90","","5184.89","0.11","310","2","310","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.486 N1.5 O3 -","- C192 H192 Cl35.888 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0894","0.0743","","","0.2093","0.2332","","","","","","1.065","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224663","28.2714","0.0003","17.9408","0.0002","10.2446","0.0001","90","","90","","90","","5196.18","0.09","315","2","315","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.4935 N1.5 O3 -","- C192 H192 Cl35.948 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0886","0.0775","","","0.2158","0.2301","","","","","","1.06","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224664","28.2869","0.0004","17.9428","0.0003","10.2513","0.0001","90","","90","","90","","5203.01","0.12","320","2","320","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.1013","0.085","","","0.2402","0.2619","","","","","","1.077","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224665","27.9771","0.001","17.8261","0.0007","10.0751","0.0003","90","","90","","90","","5024.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","0.71073","MoKα","","0.0565","0.04","","","0.0932","0.103","","","","","","1.024","","","","has coordinates","185234","2020-10-21","18:00:00",""
"7224692","14.0292","0.0009","5.0669","0.0004","14.7229","0.0011","90","","99.433","0.007","90","","1032.42","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.062","0.0567","","","0.1437","0.1476","","","","","","1.081","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224693","6.7362","0.0006","24.2039","0.0015","6.8686","0.0005","90","","112.293","0.009","90","","1036.17","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.0519","0.0411","","","0.0985","0.1073","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224701","10.4247","0.0005","13.3796","0.0007","15.0146","0.0007","71.1","0.002","69.931","0.002","76.203","0.002","1841.79","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Ca2 Cd2 Cl8 N24 O25 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0461","0.0423","","","0.1188","0.1216","","","","","","1.039","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224702","10.694","0.019","13.459","0.023","15.1057","0.0027","99.314","0.028","107.545","0.018","105.669","0.018","1925","5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Cl8 N24 O32 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0782","0.0675","","","0.2033","0.2125","","","","","","1.076","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224703","15.676","0.003","17.177","0.004","20.2","0.004","92.786","0.003","105.91","0.003","116.818","0.003","4573.2","1.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H130 Ba2 Cd Cl6 N24 O51 -","- C44 H52 Ba2 Cd Cl6 N24 O19 -","- C88 H104 Ba4 Cd2 Cl12 N48 O38 -","2","1","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.1135","0.0594","","","0.1469","0.1651","","","","","","0.818","","","","has coordinates,has disorder","185204","2020-10-21","18:00:00",""
"7224706","19.106","0.007","15.504","0.007","18.03","0.03","90","","95.648","0.015","90","","5315","9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","","- C8 H20 N6 S2 -","- C8 H20 N6 S2 -","- C128 H320 N96 S32 -","16","2","","Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal.","Physical chemistry chemical physics : PCCP","2016","18","16","10868","10872","10.1039/c6cp01073c","","","0.71073","MoKα","","0.1099","0.0972","","","0.2683","0.2933","","","","","","1.084","","","","has coordinates,has disorder","301865","2025-08-22","16:16:52",""
"7224707","9.685","0.006","7.867","0.005","18.241","0.011","90","","95.266","0.011","90","","1384","1.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","","- C8 H20 N6 S2 -","- C8 H20 N6 S2 -","- C32 H80 N24 S8 -","4","0.5","","Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal.","Physical chemistry chemical physics : PCCP","2016","18","16","10868","10872","10.1039/c6cp01073c","","","0.71073","MoKα","","0.0597","0.0409","","","0.1154","0.1367","","","","","","0.893","","","","has coordinates","182799","2020-10-21","18:00:00",""
"7224724","5.947","0.003","8.068","0.008","13.411","0.005","90","","95.94","0.03","90","","640","0.8","296","2","296","2","350000","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-dimethylbipyridinium dibromide","","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C24 H28 Br4 N4 -","2","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.097","0.0879","","","0.2298","0.24","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224725","4.8986","0.0006","7.6614","0.001","7.989","0.0009","70.464","0.011","87.005","0.01","77.176","0.011","275.44","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","44'-bipyridine hydrobromide","","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0193","0.0184","","","0.0448","0.0451","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224726","4.8839","0.0015","7.622","0.005","7.951","0.004","70.87","0.06","86.78","0.04","77.39","0.05","272.8","0.3","296","2","296","2","10000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.067","0.0623","","","0.1467","0.1523","","","","","","1.211","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224727","4.874","0.004","7.567","0.006","7.936","0.004","70.73","0.06","86.64","0.05","77.47","0.07","269.7","0.4","296","2","296","2","20000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0535","0.0487","","","0.1178","0.1238","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224728","4.845","0.0011","7.453","0.002","7.875","0.005","70.89","0.04","86.82","0.04","77.82","0.02","262.6","0.2","296","2","296","2","50000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0427","0.0332","","","0.0656","0.0693","","","","","","1.438","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224729","4.8011","0.0017","7.275","0.004","7.759","0.005","71.06","0.06","86.46","0.05","78.64","0.04","251.3","0.3","296","2","296","2","100000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.082","0.0511","","","0.1094","0.1273","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224730","10.33","0.0006","12.704","0.0007","12.798","0.0006","102.776","0.002","99.919","0.002","108.779","0.002","1495.87","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71069","MoKα","","0.0226","0.0226","","","0.0402","0.0402","","","","","","0.987","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224731","7.031","0.005","14.975","0.005","13.892","0.005","90","","96.408","0.005","90","","1453.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0239","0.0239","","","0.0331","0.0331","","","","","","0.543","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224732","15.488","0.005","8.481","0.005","17.387","0.005","90","","112.763","0.005","90","","2106","1.5","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0211","0.0211","","","0.0323","0.0323","","","","","","0.474","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224733","10.7694","0.0003","8.461","0.0003","11.3742","0.0003","90","","91.626","0.001","90","","1036","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0193","0.0193","","","0.0298","0.0298","","","","","","0.517","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224734","15.3248","0.001","15.3248","0.001","23.354","0.003","90","","90","","90","","5484.7","0.9","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Br4 Cu2 N16 O2 -","- C100 H96 Br4 Cu2 N16 O2 -","- C200 H192 Br8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0933","","","","0.1855","","","","","","1.18","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224735","15.2312","0.0008","15.2312","0.0008","23.338","0.002","90","","90","","90","","5414.2","0.6","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Cl4 Cu2 N16 O2 -","- C100 H96 Cl4 Cu2 N16 O2 -","- C200 H192 Cl8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0783","","","","0.1696","","","","","","1.051","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224736","16.918","0.002","16.918","0.002","32.534","0.005","90","","90","","90","","9312","2","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Br2 Cu2 N16 O5 S -","- C100 H96 Br2 Cu2 N16 O5 S -","- C400 H384 Br8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","0.0974","0.0755","","","0.1341","0.1442","","","","","","1.073","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224737","16.689","0.004","16.689","0.004","32.737","0.008","90","","90","","90","","9118","4","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Cl2 Cu2 N16 O5 S -","- C100 H96 Cl2 Cu2 N16 O5 S -","- C400 H384 Cl8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.71075","MoKα","","","0.1463","","","","0.3398","","","","","","1.387","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224738","4.804","0.0003","9.8809","0.0007","10.0661","0.0009","75.987","0.001","81.807","0.002","79.391","0.001","453.26","0.06","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0986","0.0702","","","0.1731","0.1891","","","","","","1.0052","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224739","11.0031","0.0009","11.2217","0.0011","11.6959","0.0011","69.193","0.001","79.676","0.001","81.008","0.002","1321.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","1.54178","CuKα","","0.1899","0.0947","","","0.1871","0.2865","","","","","","1.032","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224740","23.432","0.002","9.5422","0.0008","18.9958","0.0017","90","","125.964","0.002","90","","3437.7","0.5","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 O10 Zn -","- C32 H40 N4 O10 Zn -","- C128 H160 N16 O40 Zn4 -","4","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0842","0.0448","","","0.0941","0.1147","","","","","","1.009","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224741","10.4929","0.0013","11.1254","0.0012","16.981","0.002","90.561","0.006","96.469","0.007","99.986","0.006","1939","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PITE2","PITE2","","- C51 H51 N O -","- C51 H51 N O -","- C102 H102 N2 O2 -","2","1","","Sk, Bahadur; Patra, Abhijit","C–C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1148","0.058","","","0.1505","0.182","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224742","9.1338","0.0002","13.6605","0.0002","16.0445","0.0003","90.823","0.001","91.397","0.001","101.432","0.001","1961.23","0.06","140","2","140","2","","","","","","","","3","P -1","-P 1","2","PITE1","PITE1","","- C51 H52 N2 -","- C51 H52 N2 -","- C102 H104 N4 -","2","1","","Sk, Bahadur; Patra, Abhijit","C–C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1221","0.0577","","","0.1193","0.148","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224743","23.7419","0.0009","8.0217","0.0003","31.6881","0.0009","90","","127.152","0.002","90","","4810.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O9 -","- C25 H25 N O9 -","- C200 H200 N8 O72 -","8","2","","Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K.","Water – the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides","Green Chem.","2016","18","10","2961","","10.1039/C6GC00367B","","","0.71073","MoKα","","0.0671","0.0506","","","0.1259","0.1408","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224744","8.133","0.003","11.671","0.004","11.708","0.003","63.061","0.014","84.432","0.014","75.914","0.014","960.8","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O8 -","- C21 H17 N O8 -","- C42 H34 N2 O16 -","2","1","","Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K.","Water – the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides","Green Chem.","2016","18","10","2961","","10.1039/C6GC00367B","","","0.71073","MoKα","","0.0498","0.0405","","","0.1108","0.12","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224771","33.193","0.003","6.8956","0.0006","21.9291","0.0019","90","","114.468","0.002","90","","4568.5","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Co N4 O8 -","- C58 H40 Co N4 O8 -","- C232 H160 Co4 N16 O32 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1471","0.0757","","","0.1402","0.1589","","","","","","1.045","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224772","32.836","0.003","14.4409","0.0013","14.228","0.0012","90","","101.308","0.002","90","","6615.7","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Co2 N10 O8 -","- C80 H58 Co2 N10 O8 -","- C320 H232 Co8 N40 O32 -","4","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1692","0.0774","","","0.1816","0.2048","","","","","","1.03","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224773","32.8","0.003","12.586","0.0011","16.0471","0.0014","90","","116.928","0.003","90","","5906.3","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H52 Co2 N12 O10 -","- C70 H52 Co2 N12 O10 -","- C280 H208 Co8 N48 O40 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.0844","0.0492","","","0.1045","0.1122","","","","","","1.066","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224774","27.805","0.003","9.381","0.0009","24.923","0.002","90","","114.715","0.003","90","","5905.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N3 O5 -","- C30 H26 Co N2.9995 O4.9995 -","- C240 H208 Co8 N23.996 O39.996 -","8","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1123","0.0603","","","0.1627","0.1935","","","","","","1.033","","","","has coordinates,has disorder","182650","2020-10-21","18:00:00",""
"7224775","5.3407","0.0004","10.8805","0.0009","20.8512","0.0012","93.153","0.006","94.366","0.006","99.411","0.007","1189.07","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N O5 S6 -","- C19 H19 N O5 S6 -","- C38 H38 N2 O10 S12 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1072","0.0792","","","0.1747","0.1959","","","","","","1.047","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224776","9.7149","0.0006","13.5293","0.0006","21.8111","0.0009","78.118","0.004","83.149","0.004","86.593","0.004","2783.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 N2 O8 S12 -","- C46 H9 N2 O8 S12 -","- C92 H18 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1531","0.0976","","","0.1636","0.1885","","","","","","1.014","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224777","9.6659","0.0006","13.4126","0.0007","25.3171","0.0017","76.598","0.005","79.897","0.005","86.413","0.005","3142.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H72 N2 O8 S12 -","- C53 H18.92 N2 O8 S12 -","- C106 H37.84 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.126","0.0904","","","0.1706","0.1864","","","","","","1.153","","","","has coordinates,has disorder","182653","2020-10-21","18:00:00",""
"7224778","13.0094","0.0006","13.0094","0.0006","5.5129","0.0003","90","","90","","120","","808.03","0.07","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C9 H9 F9 Li O9 P -","- C9 H9 F9 Li O9 P -","- C18 H18 F18 Li2 O18 P2 -","2","0.333333","","Malliakas, Christos D.; Leung, Kevin; Pupek, Krzysztof Z.; Shkrob, Ilya A.; Abraham, Daniel P.","Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries.","Physical chemistry chemical physics : PCCP","2016","18","16","10846","10849","10.1039/c6cp01157h","","","0.71073","MoKα","","0.0506","0.0363","","","0.0966","0.1033","","","","","","1.037","","","","has coordinates","182800","2020-10-21","18:00:00",""
"7224779","24.513","0.005","18.922","0.004","17.238","0.003","90","","119.74","0.03","90","","6942","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cu N4 O4 -","- C20 H15 Cu N4 O4 -","- C320 H240 Cu16 N64 O64 -","16","2","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal–organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.073","0.0447","","","0.117","0.133","","","","","","0.954","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224780","7.3598","0.0015","14.818","0.003","26.434","0.005","90","","94.94","0.03","90","","2872.1","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Mo8 N8 O35 -","- C40 H38 Mo8 N8 O35 -","- C80 H76 Mo16 N16 O70 -","2","0.5","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.0623","0.0417","","","0.0957","0.1024","","","","","","0.945","","","","has coordinates,has disorder","182637","2020-10-21","18:00:00",""
"7224786","7.081","0.002","8.559","0.002","9.604","0.003","67","0.02","81.82","0.02","71.19","0.02","507.1","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1535","0.0905","","","0.2311","0.3014","","","","","","1.089","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224787","7.0242","0.0016","8.496","0.002","9.475","0.002","66.75","0.02","81.96","0.02","71.38","0.02","492.3","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.141","0.0957","","","0.253","0.31","","","","","","1.119","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224788","7.0048","0.0007","8.453","0.003","9.3834","0.0012","66.49","0.02","81.84","0.009","71.705","0.018","483.6","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0833","0.0571","","","0.1414","0.1608","","","","","","1.155","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224789","6.926","0.003","8.343","0.004","9.223","0.004","66.57","0.05","81.99","0.04","72.07","0.05","465.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.56085","AgKα","","0.2012","0.1112","","","0.282","0.3637","","","","","","1.081","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224790","9.977","0.007","7.1746","0.0003","12.7576","0.0006","90","","93.545","0.013","90","","911.5","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1064","0.0501","","","0.1296","0.1788","","","","","","1.034","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224791","9.96","0.012","7.1574","0.001","12.579","0.0008","90","","93.71","0.02","90","","894.8","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1198","0.0644","","","0.1532","0.205","","","","","","1.06","","","","has coordinates,has disorder","182633","2020-10-21","18:00:00",""
"7224792","10.11","0.006","7.1","0.0007","6.6984","0.001","114.72","0.012","94.61","0.02","90.202","0.019","435","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0834","0.0631","","","0.1619","0.1812","","","","","","1.122","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224793","10.037","0.002","7.0477","0.001","6.6292","0.001","115.381","0.014","94.711","0.014","90.103","0.014","421.88","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0925","0.0612","","","0.1529","0.1813","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:52",""
"7224794","10.007","0.003","7.0202","0.0014","6.5889","0.0012","115.903","0.019","94.821","0.018","90.068","0.019","414.53","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0896","0.0525","","","0.1324","0.1587","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224795","10.027","0.01","7.0054","0.0013","6.5581","0.0012","116.173","0.019","94.86","0.03","90.02","0.04","411.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1133","0.0757","","","0.196","0.2366","","","","","","1.126","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224796","23.245","0.003","9.9259","0.0012","17.277","0.002","90","","106.81","0.002","90","","3815.9","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O5 S Zn -","- C18 H14 N4 O5 S Zn -","- C144 H112 N32 O40 S8 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0238","0.0218","","","0.0506","0.0515","","","","","","0.986","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224797","8.7117","0.0012","11.0488","0.0016","13.293","0.0019","69.79","0.004","77.976","0.004","71.66","0.004","1132.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C48 H32 N8 O8 Zn2 -","2","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0595","0.0594","","","0.1421","0.1421","","","","","","0.991","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224798","24.568","0.005","10.146","0.002","17.994","0.003","90","","111.863","0.006","90","","4162.7","1.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 N5 O5 Zn -","- C22 H10 N5 O5 Zn -","- C176 H80 N40 O40 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0791","0.0662","","","0.1743","0.1869","","","","","","1.045","","","","has coordinates,has disorder","185279","2020-10-21","18:00:00",""
"7224799","10.6476","0.0013","19.578","0.002","15.1746","0.0017","90","","107.808","0.004","90","","3011.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl2 N12 O20 Zn3 -","- C50 H46 Cl2 N12 O20 Zn3 -","- C100 H92 Cl4 N24 O40 Zn6 -","2","0.5","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0416","0.0374","","","0.0821","0.084","","","","","","1.164","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224800","4.3542","0.0003","7.3675","0.0006","8.714","0.0006","72.481","0.007","83.722","0.006","84.917","0.006","264.52","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C8 H6 Br4 -","1","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0266","0.0217","","","0.0489","0.0511","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224801","6.6114","0.0005","8.7776","0.0006","9.1807","0.0006","90","","104.041","0.007","90","","516.86","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C16 H12 Br8 -","2","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0478","0.0247","","","0.0404","0.0416","","","","","","0.874","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224802","11.447","0.004","5.0219","0.0009","15.967","0.003","90","","91.41","0.02","90","","917.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C32 H32 N16 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","1.54184","CuKα","","0.0878","0.0581","","","0.1533","0.1751","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224803","5.6677","0.0012","14.228","0.003","10.921","0.002","90","","100.939","0.004","90","","864.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N5 S -","- C7 H7 N5 S -","- C28 H28 N20 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.053","0.0395","","","0.1045","0.1126","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224804","21.6688","0.0014","11.3368","0.0017","8.2128","0.0005","90","","107.851","0.006","90","","1920.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Hg N8 S2 -","- C16 H14 Hg N8 S2 -","- C64 H56 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0973","0.0366","","","0.0804","0.0929","","","","","","1.018","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224805","7.7077","0.0006","16.2385","0.0014","18.9449","0.0014","80.783","0.009","86.817","0.009","86.277","0.008","2333.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br2 Hg N8 O S2 -","- C16 H16 Br2 Hg N8 O S2 -","- C64 H64 Br8 Hg4 N32 O4 S8 -","4","2","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2689","0.0675","","","0.1742","0.2457","","","","","","0.962","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224806","9.726","0.002","10.608","0.002","12.611","0.003","104.613","0.004","109.647","0.004","95.734","0.004","1161.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","1","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0439","0.0291","","","0.0614","0.0665","","","","","","0.978","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224807","13.282","0.002","18.98","0.004","8.27","0.003","90","","90.328","0.008","90","","2084.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Hg N8 S2 -","- C18 H18 Hg N8 S2 -","- C72 H72 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2068","0.0534","","","0.1015","0.1321","","","","","","0.945","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224808","7.1597","0.0002","6.3074","0.0002","38.1938","0.001","90","","90","","90","","1724.8","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Hg N10 S2 -","- C14 H12 Hg N10 S2 -","- C56 H48 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0302","0.0274","","","0.054","0.0547","","","","","","1.2","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224809","14.646","0.016","10.045","0.011","15.852","0.017","90","","116.057","0.016","90","","2095","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Hg N10 S2 -","- C16 H16 Hg N10 S2 -","- C64 H64 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0529","0.0306","","","0.0597","0.0651","","","","","","1.055","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224810","29.9017","0.0019","29.9017","0.0019","96.281","0.006","90","","90","","120","","74553","8","100","","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C35.54 H40.21 O10.3 -","- C35.519 H40.1572 O10.2964 -","- C2557.37 H2891.32 O741.342 -","72","4","","Oliver, Clive L.; Báthori, Nikoletta B.; Jackson, Graham E.; Kuter, David; Cruickshank, Dyanne L.","Solid-state isolation of a unique, small-molecule, supra-heterodimer of large hexameric assemblies of C-methylcalix[4]resorcinarene","CrystEngComm","2016","18","17","3015","","10.1039/C6CE00698A","","","0.71073","MoKα","","0.0846","0.0577","","","0.1501","0.1653","","","","","","1.038","","","","has coordinates,has disorder","203909","2020-10-21","18:00:00",""
"7224841","11.18176","0.00015","15.2528","0.0002","19.3375","0.0003","90","","90.2091","0.0012","90","","3298.05","0.08","150","","150","","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","[HHTP.TBA.Cl]n","","- C68 H96 Cl2 N2 O12 -","- C68 H96 Cl2 N2 O12 -","- C136 H192 Cl4 N4 O24 -","2","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0416","0.0403","","0.1067","0.1055","0.1067","","","","","","0.9297","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7224842","21.6122","0.0005","16.4917","0.0003","21.8385","0.0005","90","","117.021","0.003","90","","6934","0.3","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.I]n","","- C68 H97 I2 N2 O12.5 -","- C68 H97 I2 N2 O12.5 -","- C272 H388 I8 N8 O50 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0542","0.0412","","0.0902","0.0825","0.0902","","","","","","0.9705","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7224843","12.7893","0.0003","16.0254","0.0004","17.4075","0.0004","90","","93.462","0.002","90","","3561.22","0.15","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.H2PO4]n","","- C35 H54 N O11 P -","- C35 H54 N O11 P -","- C140 H216 N4 O44 P4 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0692","0.0489","","0.1219","0.1056","0.1219","","","","","","0.9473","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7224844","13.0411","0.0002","16.2078","0.0003","16.6185","0.0002","90","","90.0656","0.0014","90","","3512.61","0.09","150","","150","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.OAc]n","","- C37 H55 N O9 -","- C37 H55 N O9 -","- C148 H220 N4 O36 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0817","0.0771","","0.2184","0.2146","0.2184","","","","","","0.9951","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224845","20.01455","0.00017","15.41266","0.00017","22.3318","0.00014","90","","90.0507","0.0007","90","","6888.85","0.11","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.MeOSO3]n","","- C70 H102 N2 O20 S2 -","- C70 H102 N2 O20 S2 -","- C280 H408 N8 O80 S8 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0491","0.0469","","0.1294","0.1266","0.1294","","","","","","0.968","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7224846","11.298","0.0002","15.7065","0.0004","17.8505","0.0004","90","","90.914","0.002","90","","3167.2","0.12","150","","150","","","","","","","","syntheszied","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TEA.Cl]n","","- C30 H42 Cl N O7 -","- C30 H42 Cl N O7 -","- C120 H168 Cl4 N4 O28 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.1109","0.0951","","0.2305","0.2252","0.2305","","","","","","0.9826","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224847","24.271","0.002","14.1584","0.0014","9.641","0.0009","90","","98.97","0.009","90","","3272.5","0.5","180.01","0.1","180.01","0.1","","","","","","","none","6","C 1 2 1","C 2y","5","CuI(ph-dppb)2","","","- C73 H58 Cl2 Cu2 I2 P4 -","- C73 H58 Cl2 Cu2 I2 P4 -","- C146 H116 Cl4 Cu4 I4 P8 -","2","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0828","0.0558","","","0.1079","0.1248","","","","","","1.034","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224848","19.5414","0.0011","14.573","0.0006","26.9535","0.0014","90","","113.268","0.007","90","","7051.4","0.7","180.01","0.1","180.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu(μ-I)OMe-dppb]2","4,5-dimethoxyl-1,2-bis(diphenylphosphino) benzene","","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C268 H248 Cl24 Cu8 I8 O16 P16 -","4","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0681","0.0429","","","0.09","0.1039","","","","","","1.023","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224849","13.6302","0.0006","13.8186","0.0005","18.0831","0.0007","110.055","0.003","104.744","0.003","97.913","0.003","2997.7","0.2","100.1","0.2","100.1","0.2","","","","","","","","6","P -1","-P 1","2","[Cu(μ-I)Pr-dppb]2","4-pyrrolyl-1,2-bis(diphenylphosphino)benzene copper(I) iodine","","- C68 H54 Cu2 I2 N2 P4 -","- C68 H54 Cu2 I2 N2 P4 -","- C136 H108 Cu4 I4 N4 P8 -","2","1","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0598","0.0367","","","0.0655","0.0786","","","","","","1.0742","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224863","10.7414","0.0006","11.2551","0.0006","16.1946","0.0008","84.01","0.003","77.531","0.003","69.651","0.003","1791.45","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N4 O6 -","- C46 H38 N4 O6 -","- C92 H76 N8 O12 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0686","0.0523","","","0.1322","0.1431","","","","","","1.019","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224864","13.8522","0.0015","15.6089","0.0016","15.8464","0.0015","65.532","0.003","83.496","0.003","89.872","0.003","3094.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H60 N4 O4 -","- C92 H60 N4 O4 -","- C184 H120 N8 O8 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0874","0.0604","","","0.1476","0.1637","","","","","","1.017","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224865","13.5292","0.0005","20.5192","0.0006","11.5369","0.0004","90","","107.657","0.001","90","","3051.86","0.18","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 N3 O2 -","- C43 H30 N3 O2 -","- C172 H120 N12 O8 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0548","0.0429","","","0.1073","0.1148","","","","","","1.044","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224866","11.44","0.0007","20.592","0.0012","14.745","0.0009","90","","110.377","0.003","90","","3256.1","0.3","110","2","110","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C94 H64 N6 O4 -","- C94 H64 N6 O4 -","- C188 H128 N12 O8 -","2","0.25","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0657","0.0481","","","0.1204","0.1333","","","","","","1.032","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224867","16.1034","0.0006","23.3602","0.0009","15.3638","0.0005","90","","113.178","0.002","90","","5313","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66.7 H54.8 N6 O6.7 -","- C65 H48 N6 O5 -","- C260 H192 N24 O20 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0947","0.0613","","","0.1582","0.1785","","","","","","1.015","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224868","32.937","0.004","6.2835","0.0005","29.547","0.003","90","","119.674","0.004","90","","5313.1","1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H62 N6 O9.5 -","- C56 H40 N6 O4 -","- C224 H160 N24 O16 -","4","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.1047","0.0645","","","0.1667","0.1813","","","","","","0.965","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224869","6.0722","0.0005","15.4167","0.0016","16.9383","0.0018","88.096","0.004","86.696","0.004","85.177","0.004","1576.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","1","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0564","0.043","","","0.1042","0.1126","","","","","","1.028","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224870","11.5191","0.0006","8.0183","0.0005","12.9595","0.0008","90","","100.259","0.003","90","","1177.85","0.12","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Ce O7 -","- C9 H11 Ce O7 -","- C36 H44 Ce4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.0453","0.0465","","","","1.3","1.3","1.24","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224871","11.5115","0.0003","7.9773","0.0002","13.0081","0.0003","90","","100.209","0.001","90","","1175.63","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Pr -","- C9 H11 O7 Pr -","- C36 H44 O28 Pr4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0728","0.0438","","","0.0514","0.0529","","","","2.37","2.37","2.02","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224872","11.4812","0.0002","7.9164","0.0001","12.9995","0.0003","90","","100.355","0.002","90","","1162.28","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Nd O7 -","- C9 H11 Nd O7 -","- C36 H44 Nd4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0826","0.0541","","","0.0621","0.0679","","","","1.19","1.19","1.1","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224873","11.4339","0.0001","7.8472","0.0001","13.0074","0.0002","90","","100.188","0.0006","90","","1148.67","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Sm -","- C9 H11 O7 Sm -","- C36 H44 O28 Sm4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0309","0.0198","","","0.024","0.0315","","","","1.29","1.29","1.52","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224874","11.4283","0.0006","7.8226","0.0004","13.0064","0.0006","90","","100.148","0.002","90","","1144.57","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Eu O7 -","- C9 H11 Eu O7 -","- C36 H44 Eu4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0719","0.0418","","","0.0431","0.0448","","","","2.41","2.41","2.08","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224875","11.3797","0.0006","7.7495","0.0004","12.9729","0.0006","90","","99.988","0.002","90","","1126.7","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Tb -","- C9 H11 O7 Tb -","- C36 H44 O28 Tb4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0297","0.0208","","","0.0249","0.0259","","","","1.4","1.4","1.3","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224876","11.407","0.003","7.7149","0.0016","12.942","0.003","90","","99.966","0.01","90","","1121.8","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Dy O7 -","- C9 H11 Dy O7 -","- C36 H44 Dy4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0434","0.0305","","","0.0347","0.0364","","","","1.15","1.15","1.09","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224879","5.577","0.002","7.5481","0.0007","18.06","0.003","90","","90","","90","","760.2","0.3","295","2","295","2","","","480000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0933","0.0744","","","0.1512","0.1591","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224880","5.3889","0.001","7.4568","0.0008","17.8288","0.0019","90","","90","","90","","716.43","0.17","295","2","295","2","","","1600000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0719","0.055","","","0.1264","0.1386","","","","","","1.134","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224881","5.375","0.018","7.436","0.004","17.849","0.008","90","","90","","90","","713","2","295","2","295","2","","","1900000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1005","0.0737","","","0.1274","0.1403","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224882","4.609","0.003","8.438","0.006","17.4","0.09","90","","90","","90","","677","4","295","2","295","2","","","2020000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1108","0.0754","","","0.1102","0.1173","","","","","","0.942","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224883","4.62","0.003","8.422","0.005","17.29","0.03","90","","90","","90","","672.7","1.3","295","2","295","2","","","2100000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0943","0.0614","","","0.1129","0.122","","","","","","1.009","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224884","4.58","0.03","8.401","0.008","17.2","0.05","90","","90","","90","","662","5","295","2","295","2","","","2350000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1668","0.1163","","","0.2375","0.2857","","","","","","1.007","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224885","4.5744","0.0006","8.386","0.003","17.212","0.016","90","","90","","90","","660.3","0.7","295","2","295","2","","","2850000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.56087","AgKα","","0.0975","0.0706","","","0.158","0.1697","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224886","5.6684","0.0002","7.572","0.0002","18.1425","0.0005","90","","90","","90","","778.7","0.04","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0354","0.0319","","","0.076","0.0782","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224887","5.6537","0.0002","7.5619","0.0002","18.1266","0.0005","90","","90","","90","","774.96","0.04","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.033","0.0306","","","0.0771","0.079","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224888","5.64474","0.00013","7.55135","0.00017","18.1054","0.0004","90","","90","","90","","771.75","0.03","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0293","0.0283","","","0.0716","0.0723","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224889","5.62999","0.00016","7.5401","0.0002","18.0919","0.0005","90","","90","","90","","768.01","0.04","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0274","0.0266","","","0.0666","0.067","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224895","7.4418","0.0005","10.0193","0.0009","12.2838","0.001","90.054","0.005","99.653","0.005","104","0.004","875.29","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O7 U -","- C16 H18 N2 O7 U -","- C32 H36 N4 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0277","0.0217","","","0.0414","0.0424","","","","","","1.02","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224896","7.4929","0.0006","11.4014","0.0006","21.3247","0.0018","90","","90","","90","","1821.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O6 U -","- C19 H18 N2 O6 U -","- C76 H72 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0326","0.0297","","","0.0845","0.0857","","","","","","1.086","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224897","6.8419","0.0003","14.9035","0.001","18.3664","0.0012","90","","97.677","0.004","90","","1856","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 U -","- C18 H20 N2 O6 U -","- C72 H80 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0377","0.0294","","","0.0709","0.0731","","","","","","1.128","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224898","8.9926","0.0005","10.1782","0.0006","12.334","0.0008","74.294","0.003","69.809","0.004","75.184","0.004","1003.39","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C42 H44 N4 O12 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0309","0.0243","","","0.0549","0.0563","","","","","","1.001","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224899","9.2082","0.0006","13.2399","0.0012","18.1132","0.0014","73.667","0.004","78.133","0.004","83.081","0.005","2069.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C84 H88 N8 O24 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0672","0.0418","","","0.0914","0.0982","","","","","","1.044","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224900","9.1158","0.0004","19.5111","0.0011","19.6788","0.0008","103.432","0.004","92.911","0.003","94.315","0.004","3386.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N4 O11 U2 -","- C33 H30 N4 O11 U2 -","- C132 H120 N16 O44 U8 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0705","0.0383","","","0.0583","0.0644","","","","","","0.936","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224901","7.7422","0.0004","16.7494","0.0007","18.1092","0.0008","90","","97.207","0.003","90","","2329.8","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O6 U -","- C23 H30 N2 O6 U -","- C92 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0429","0.0344","","","0.0914","0.0955","","","","","","1.038","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224902","8.0731","0.0004","17.3445","0.0006","17.4005","0.0007","90","","92.994","0.003","90","","2433.16","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O6 U -","- C25 H30 N2 O6 U -","- C100 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0767","0.0628","","","0.1733","0.1822","","","","","","1.059","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224903","11.786","0.002","11.786","","29.019","0.006","90","","90","","90","","4031","1.1","298","2","298","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C56 H78 Cl12 N28 Ni8 O6 -","- C56 H78 Cl12 N28 Ni8 O6 -","- C112 H156 Cl24 N56 Ni16 O12 -","2","0.125","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.0486","0.0354","","","0.0852","0.093","","","","","","1.034","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224904","21.043","0.006","22.205","0.007","17.844","0.005","90","","90","","90","","8338","4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H62 Br12 N26 Ni8 O6 -","- C48 H62 Br12 N26 Ni8 O6 -","- C192 H248 Br48 N104 Ni32 O24 -","4","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.173","0.0898","","","0.2218","0.2527","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224905","11.998","0.007","26.923","0.016","19.114","0.009","90","","116.81","0.03","90","","5511","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I12 N24 Ni8 O6 -","- C36 H30 I12 N24 Ni8 O6 -","- C72 H60 I24 N48 Ni16 O12 -","2","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71","MoKα","","0.1724","0.0997","","","0.2155","0.2408","","","","","","0.71","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224906","10.2928","0.0013","20.805","0.003","21.558","0.003","90","","90","","90","","4616.5","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H17 Eu N2 O8 -","- C27 H17 Eu N2 O8 -","- C216 H136 Eu8 N16 O64 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Du, Xi; Wang, Ping; Yang, Yulin","Assembly of one-, two-, and three-dimensional Ln(iii) complexes constructed from a novel asymmetric tricarboxylic acid: synthesis, structure, photoluminescence and tunable white-light emission","CrystEngComm","2016","18","20","3711","","10.1039/C6CE00483K","","","0.71073","MoKα","","0.2005","0.0707","","","0.1571","0.2331","","","","","","1.043","","","","has coordinates","185233","2020-10-21","18:00:00",""
"7224907","12.6658","0.0006","15.8879","0.0007","22.143","0.001","89.449","0.004","93.013","0.004","107.919","0.004","4233.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H77 Cl3 N34 O35 -","- C57 H77 Cl3 N34 O34.869 -","- C114 H154 Cl6 N68 O69.738 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1208","0.1052","","","0.2891","0.3125","","","","","","1.192","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224908","12.528","0.0014","15.3546","0.0012","17.2965","0.0016","107.352","0.008","100.18","0.009","95.791","0.008","3083.7","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H70 Cl3 Mg N27 O27 -","- C43 H70 Cl3 Mg N27 O27 -","- C86 H140 Cl6 Mg2 N54 O54 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1056","0.0805","","","0.2113","0.2382","","","","","","0.92","","","","has coordinates","185200","2020-10-21","18:00:00",""
"7224909","15.8539","0.0003","19.7194","0.0003","26.8892","0.0005","98.389","0.002","94.251","0.002","109.497","0.002","7771.3","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H92 Ca2 Cl5.5 N54 O77 -","- C86 H92 Ca2 Cl5.5 N54 O76.99 -","- C172 H184 Ca4 Cl11 N108 O153.98 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1141","0.1021","","","0.2879","0.301","","","","","","1.12","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224910","15.6491","0.001","20.9747","0.0018","35.1781","0.001","100.397","0.005","99.817","0.004","103.379","0.006","10773.6","1.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C128 H140 Cl2 N76 O80 -","- C128 H140 Cl2 N76 O80.069 -","- C256 H280 Cl4 N152 O160.138 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.2609","0.1567","","","0.3754","0.4392","","","","","","1.114","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224922","23.22","0.001","24.47","0.02","32.46","0.001","90","","90","","90","","18444","15","100","2","100","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C89.9 H138.6 F6.6 N2 O9.2 -","- C89.9 H138.6 F6.6 N2 O9.2 -","- C719.2 H1108.8 F52.8 N16 O73.6 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.7","","","0.1831","0.1298","","","0.3666","0.4113","","","","","","1.437","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224923","23.45","0.01","23.02","0.01","32.88","0.02","90","","90","","90","","17749","15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H133 N2 O7 -","- C86 H133 N2 O7 -","- C688 H1064 N16 O56 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.6525","","","0.1338","0.1128","","","0.3043","0.3384","","","","","","1.063","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224924","12.5712","0.0012","10.2622","0.0009","18.6905","0.0018","90","","101.379","0.003","90","","2363.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetrabromocadmate(II) monohydrate","bis(quinolinium) tetrabromocadmate(II) monohydrate","","- C18 H20 Br4 Cd N2 O2 -","- C18 H20 Br4 Cd N2 O2 -","- C72 H80 Br16 Cd4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0692","0.0374","","","0.072","0.0806","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224925","16.448","0.002","13.1972","0.0014","12.5022","0.0014","90","","106.338","0.004","90","","2604.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrachloromercurate(ii) dihydrate","bis(phenazinium) tetrachloromercury(ii) dihydrate","","- C24 H22 Cl4 Hg N4 O2 -","- C24 H22 Cl4 Hg N4 O2 -","- C96 H88 Cl16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.099","0.0447","","","0.0586","0.0685","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224926","13.155","0.013","10.375","0.011","18.777","0.017","90","","93.87","0.03","90","","2557","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachloro-zinc(II)","bis(acridinium) tetrachloro-zinc(II)","","- C26 H20 Cl4 N2 Zn -","- C26 H20 Cl4 N2 Zn -","- C104 H80 Cl16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.2053","0.1423","","","0.2463","0.2719","","","","","","1.185","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224927","10.788","0.002","20.604","0.005","15.212","0.003","90","","96.743","0.003","90","","3357.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) diaqua-dibromo-zinc(II)","tris(acridine) diaqua-dibromo-zinc(II)","","- C39 H31 Br2 N3 O2 Zn -","- C39 H31 Br2 N3 O2 Zn -","- C156 H124 Br8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0564","0.0391","","","0.0954","0.0996","","","","","","0.993","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224928","13.1044","0.0013","10.2306","0.0009","19.0699","0.0019","90","","92.513","0.003","90","","2554.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrabromo-zinc (II)","bis(acridinium) tetrabromo-zinc (II)","","- C26 H20 Br4 N2 Zn -","- C26 H20 Br4 N2 Zn -","- C104 H80 Br16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0986","0.0885","","","0.2868","0.2974","","","","","","1.218","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224929","16.5361","0.0014","13.2372","0.0011","12.7563","0.0011","90","","106.25","0.003","90","","2680.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromomercurate(II) dihydrate","bis(phenazinium) tetrabromomercurate(II) dihydrate","","- C24 H22 Br4 Hg N4 O2 -","- C24 H22 Br4 Hg N4 O2 -","- C96 H88 Br16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1426","0.1115","","","0.18","0.1901","","","","","","1.175","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224930","6.9401","0.0001","16.5048","0.0003","20.9602","0.0004","90","","91.82","0.03","90","","2399.67","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","","- C24 H22 Cl2 N4 O3 Zn -","- C24 H22 Cl2 N4 O3 Zn -","- C96 H88 Cl8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1208","0.1013","","","0.3008","0.3213","","","","","","1.141","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224931","16.2283","0.0014","12.5193","0.0011","17.939","0.002","90","","115.769","0.002","90","","3282.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","phenazindiium phenazine tetrachloro-zinc(II)","phenazindiium phenazine tetrachloro-zinc(II)","","- C36 H28 Cl4 N6 Zn -","- C36 H28 Cl4 N6 Zn -","- C144 H112 Cl16 N24 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0689","0.0567","","","0.1321","0.1394","","","","","","1.115","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224932","9.6262","0.0004","10.2001","0.0005","14.7243","0.0007","97.375","0.001","93.472","0.001","113.214","0.001","1307.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(acridinium) tetrabromocadmate(II)","bis(acridinium) tetrabromocadmate(II)","","- C26 H20 Br4 Cd N2 -","- C26 H20 Br4 Cd N2 -","- C52 H40 Br8 Cd2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0435","0.0293","","","0.0617","0.0667","","","","","","1.031","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224933","12.8432","0.0016","10.2106","0.0012","18.821","0.002","90","","92.326","0.005","90","","2466.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachlorocadmate (II)","bis(acridinium) tetrachlorocadmate (II)","","- C26 H20 Cd Cl4 N2 -","- C26 H20 Cd Cl4 N2 -","- C104 H80 Cd4 Cl16 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0781","0.0765","","","0.2109","0.2121","","","","","","1.212","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224934","12.0377","0.0009","9.9002","0.0007","18.3254","0.0013","90","","100.72","0.002","90","","2145.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetracholoromercurate(II) monohydrate","bis(quinolinium) tetracholoromercurate(II) monohydrate","","- C18 H20 Cl4 Hg N2 O2 -","- C18 H20 Cl4 Hg N2 O2 -","- C72 H80 Cl16 Hg4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0127","0.0119","","","0.0292","0.0295","","","","","","1.094","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224935","11.4956","0.0003","21.8349","0.0007","15.5772","0.0005","90","","93.772","0.001","90","","3901.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","","- C42 H37 I2 N3 O2 Zn -","- C42 H37 I2 N3 O2 Zn -","- C168 H148 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0548","0.0364","","","0.0847","0.0951","","","","","","1.023","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224936","7.7519","0.0003","10.0771","0.0004","18.7817","0.0007","93.974","0.001","99.551","0.001","104.544","0.001","1390.97","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","","- C26 H27 Br3 N4 O3 Zn -","- C26 H27 Br3 N4 O3 Zn -","- C52 H54 Br6 N8 O6 Zn2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0258","0.0237","","","0.0624","0.0634","","","","","","1.05","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224937","16.693","0.0015","13.4439","0.0012","12.7863","0.0011","90","","106.754","0.002","90","","2747.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromocadmate(II) dihydrate","bis(phenazinium) tetrabromocadmate(II) dihydrate","","- C24 H21 Br4 Cd N4 O2 -","- C24 H21 Br4 Cd N4 O2 -","- C96 H84 Br16 Cd4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1288","0.0755","","","0.1331","0.1569","","","","","","1.126","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224938","11.2134","0.0005","21.5564","0.0011","15.1841","0.0008","90","","92.675","0.002","90","","3666.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","","- C41 H35 I2 N3 O2 Zn -","- C41 H35 I2 N3 O2 Zn -","- C164 H140 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0231","0.0211","","","0.0591","0.0617","","","","","","0.824","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224939","6.917","0.0007","16.4068","0.0015","21.562","0.002","90","","92.213","0.002","90","","2445.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","","- C24 H22 Br2 N4 O3 Zn -","- C24 H22 Br2 N4 O3 Zn -","- C96 H88 Br8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0551","0.0473","","","0.1189","0.1246","","","","","","1.065","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224944","16.4496","0.0006","16.5567","0.0007","17.7879","0.0007","90","","90","","90","","4844.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 N10 O10 -","- C42 H66 N10 O10 -","- C168 H264 N40 O40 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.71073","MoKα","","0.0562","0.0469","","","0.1045","0.1085","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224945","16.7243","0.001","16.7433","0.0009","17.6543","0.001","90","","90","","90","","4943.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 N10 O11 -","- C44 H72 N10 O11 -","- C176 H288 N40 O44 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.7107","MoKα","","0.114","0.0841","","","0.2063","0.2243","","","","","","1.094","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224946","7.4337","0.0001","9.2677","0.0001","17.007","0.0003","74.3","0.001","79.907","0.001","68.455","0.001","1045.37","0.03","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0419","0.0364","","","0.0966","0.1011","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224947","7.3931","0.0007","9.2277","0.0008","14.7018","0.0013","98.038","0.006","97.853","0.006","110.152","0.005","913.71","0.15","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C20 H31 N O3 -","- C20 H31 N O3 -","- C40 H62 N2 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0896","0.0469","","","0.0883","0.1041","","","","","","1.004","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224951","13.5184","0.0009","13.4639","0.0008","21.0031","0.0013","90","","106.412","0.007","90","","3667","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","","0.71073","MoKα","","0.1398","0.0682","","","0.1653","0.1915","","","","","","0.8832","","","","has coordinates,has disorder","185237","2020-10-21","18:00:00",""
"7224952","7.2006","0.0001","16.7077","0.0001","30.1005","0.0003","90","","90","","90","","3621.25","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","korol","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0629","0.0631","","","","","","1.066","","","","has coordinates","185237","2020-10-21","18:00:00",""
"7224953","7.339","0.002","19.964","0.006","10.771","0.003","90","","104.306","0.005","90","","1529.2","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0664","0.0578","","","0.1331","0.14","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224954","12.04","0.003","6.7907","0.0014","19.562","0.004","90","","90","","90","","1599.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0562","0.0447","","","0.0907","0.0967","","","","","","1.003","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7224955","11.55","0.002","11.294","0.002","33.009","0.006","90","","90","","90","","4305.9","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C224 H160 N16 O16 -","8","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0905","0.0451","","","0.105","0.1273","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224961","6.2362","0.0002","16.4475","0.0006","11.5774","0.0005","90","","93.457","0.004","90","","1185.33","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl yellow","'N,N-dimethyl-4-aminoazobenzene '","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Cruickshank, Dyanne L.; Hendon, Christopher H.; Verbeek, Matthew J. R.; Walsh, Aron; Wilson, Chick C.","Polymorphism of the azobenzene dye compound methyl yellow","CrystEngComm","2016","18","19","3456","","10.1039/C6CE00387G","","","0.71073","MoKα","","0.0892","0.0519","","","0.1046","0.1221","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224962","15.114","0.001","19.254","0.001","12.036","0.001","103.109","0.008","104.063","0.008","102.422","0.007","3170.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 Cl6 O8 -","- C70 H70 Cl6 O8 -","- C140 H140 Cl12 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","1.54178","CuKα","","0.1585","0.1087","","","0.3134","0.3501","","","","","","1.119","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224963","10.574","0.001","15.785","0.001","17.417","0.002","88.866","0.002","89.179","0.002","75.592","0.002","2815","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 Cl4 O8 -","- C64 H60 Cl4 O8 -","- C128 H120 Cl8 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","0.71069","MoKα","","0.1553","0.0998","","","0.297","0.341","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224964","24.013","0.001","4.8573","0.0002","18.3684","0.0007","90","","110.975","0.004","90","","2000.49","0.15","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br2 N4 O4 -","- C18 H16 Br2 N4 O4 -","- C72 H64 Br8 N16 O16 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0968","0.0328","","","0.0482","0.0522","","","","","","0.705","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224965","15.734","0.0006","7.37","0.0003","12.207","0.0004","90","","107.213","0.004","90","","1352.12","0.09","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N3 O2 -","- C14 H12 Br N3 O2 -","- C56 H48 Br4 N12 O8 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0595","0.031","","","0.0535","0.0565","","","","","","0.833","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224966","12.7147","0.0016","6.2855","0.0009","27.243","0.003","90","","100.679","0.009","90","","2139.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N6 O3 S -","- C20 H26 N6 O3 S -","- C80 H104 N24 O12 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.132","0.0509","","","0.0875","0.0994","","","","","","0.817","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224967","8.5882","0.0006","9.0566","0.0007","13.2569","0.0009","93.909","0.004","107.379","0.004","107.982","0.004","921.26","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.059","0.0398","","","0.0739","0.0802","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224968","7.8556","0.0004","10.5492","0.0005","11.5009","0.0006","91.605","0.003","102.511","0.003","110.839","0.002","863.8","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 O3 S3 -","- C13 H16 N4 O3 S3 -","- C26 H32 N8 O6 S6 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0393","0.0339","","","0.0719","0.0739","","","","","","1.037","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224969","35.437","0.002","5.1812","0.0003","19.7021","0.001","90","","94.827","0.005","90","","3604.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.6 H31.6 N10 O6 S4 Zn -","- C27.6 H31.6 N10 O6 S4 Zn -","- C110.4 H126.4 N40 O24 S16 Zn4 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0844","0.0571","","","0.0983","0.11","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224970","10.6976","0.0008","12.5934","0.0009","14.4096","0.0009","87.49","0.005","85.965","0.005","83.479","0.005","1922.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C66 H60 N24 O12 S12 -","6","3","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1077","0.0577","","","0.1392","0.1705","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224971","9.2653","0.0007","10.2683","0.0007","11.4407","0.0008","66.57","0.004","80.387","0.005","65.245","0.005","906.93","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br N4 O4 S2 -","- C13 H15 Br N4 O4 S2 -","- C26 H30 Br2 N8 O8 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1286","0.0516","","","0.0816","0.1075","","","","","","1.004","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224972","24.018","0.0018","4.9616","0.0002","23.5481","0.0018","90","","112.834","0.009","90","","2586.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C88 H80 N32 O16 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0572","0.0415","","","0.1201","0.1398","","","","","","0.999","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224973","8.6923","0.0002","9.6622","0.0002","11.9422","0.0003","106.389","0.001","91.668","0.001","107.403","0.001","911.1","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0444","0.0384","","","0.118","0.1269","","","","","","1.005","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224974","6.557","0.002","8.595","0.002","12.225","0.003","92.35","0.02","91.9","0.02","98.16","0.02","680.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O4 S -","- C11 H12 N4 O4 S -","- C22 H24 N8 O8 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.2901","0.1164","","","0.2735","0.3261","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224975","8.4079","0.0008","10.8878","0.0011","13.9669","0.0014","86.117","0.006","85.722","0.006","68.541","0.005","1185.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N7 O5 S -","- C23 H25 N7 O5 S -","- C46 H50 N14 O10 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1518","0.0552","","","0.0654","0.0818","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224985","10.1327","0.0005","13.1142","0.0006","16.2637","0.0007","80.616","0.004","84.703","0.004","68.575","0.005","1983.63","0.17","10","5","10","5","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N O P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Casaretto, N.; Fournier, B.; Pillet, S.; Bendeif, E. E.; Schaniel, D.; Gallien, A. K. E.; Klüfers, P.; Woike, T.","Photo-induced linkage NO isomers in the dinitrosyl complex [Ru(NO)2(PCy3)2Cl](BF4) identified by photocrystallography and IR-spectroscopy","CrystEngComm","2016","18","38","7260","","10.1039/C6CE00735J","","","0.71073","MoKα","","0.0497","0.038","","","0.079","0.085","","","","","","1.037","","","","has coordinates,has disorder","187031","2020-10-21","18:00:00",""
"7224986","10.0316","0.0014","10.0316","0.0014","17.575","0.004","90","","90","","120","","1531.7","0.5","122.1","0.1","122.1","0.1","","","","","","","","5","R 3","R 3","146","","","","- C12 H14 N12 O4 Zn2 -","- C12 H13.98 N12 O4 Zn2 -","- C36 H41.94 N36 O12 Zn6 -","3","","","Cao, Chun-Shuai; Hu, Huan-Cheng; Xu, Hang; Qiao, Wan-Zhen; Zhao, Bin","Two solvent-stable MOFs as a recyclable luminescent probe for detecting dichromate or chromate anions","CrystEngComm","2016","18","23","4445","","10.1039/C5CE02568K","","","0.71073","MoKα","","0.0807","0.0643","","","0.1534","0.1684","","","","","","1.046","","","","has coordinates","185285","2020-10-21","18:00:00",""
"7224988","31.5821","0.0012","31.5821","0.0012","5.8362","0.0005","90","","90","","120","","5041.3","0.5","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C252 H162 N54 -","9","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1191","0.0411","","","0.0906","0.1006","","","","","","0.713","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224989","11.8253","0.0014","6.2971","0.0005","15.069","0.002","90","","100.9","0.005","90","","1101.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C56 H36 N12 -","2","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1892","0.0691","","","0.1811","0.2376","","","","","","0.949","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224990","7.2379","0.001","8.6275","0.0012","12.664","0.002","102.003","0.008","100.361","0.008","91.428","0.009","759.3","0.19","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","neutral complex TMTTF_1","TMTTF_1","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0813","0.061","","","0.1361","0.1464","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224991","9.9664","0.0007","9.6751","0.0006","16.8053","0.0013","90","","99.922","0.005","90","","1596.2","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 S3 -","- C14 H13 N5 S3 -","- C56 H52 N20 S12 -","4","1","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0527","0.0423","","","0.099","0.106","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224992","7.2959","0.0011","8.7231","0.0012","12.7388","0.0018","102.719","0.008","101.011","0.007","91.481","0.007","774.3","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0685","0.0417","","","0.1016","0.114","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224993","5.3638","0.0002","7.2562","0.0003","12.7329","0.0005","77.773","0.002","80.204","0.001","69.11","0.001","450.06","0.03","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0292","0.0261","","","0.0711","0.0747","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224994","8.6586","0.0005","20.4937","0.0012","10.9221","0.0006","90","","109.724","0.002","90","","1824.38","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Fe N6 S4 -","- C36 H40 Fe N6 S4 -","- C72 H80 Fe2 N12 S8 -","2","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.1067","0.0937","","","0.2136","0.2203","","","","","","1.279","","","","has coordinates,has disorder","287935","2023-12-01","15:08:13",""
"7224995","8.0024","0.0002","9.6519","0.0003","10.0837","0.0003","102.814","0.001","96.576","0.001","91.473","0.001","753.4","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","monobenzoylpyrene","phenyl(pyren-1-yl)methanone","","- C23 H14 O -","- C23 H14 O -","- C46 H28 O2 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0511","0.0377","","","0.1208","0.1458","","","","","","1.151","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224996","10.0326","0.0003","10.6238","0.0003","11.6287","0.0004","94.489","0.001","99.49","0.002","117.263","0.001","1069.83","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","pyrene-1,3-diylbis(phenylmethanone)","1,3 Dibenzoylpyrene","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0503","0.0408","","","0.1147","0.1292","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224997","5.4689","0.0003","8.251","0.0005","22.572","0.0015","90","","95.604","0.002","90","","1013.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,6 Dibenzoylpyrene","pyrene-1,6-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0427","0.0337","","","0.087","0.0955","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224998","25.1722","0.0005","8.4269","0.0002","19.6579","0.0005","90","","99.886","0.001","90","","4107.99","0.17","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,8 Dibenzoylpyrene","pyrene-1,8-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0711","0.0482","","","0.1237","0.16","","","","","","1.155","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7224999","8.9515","0.0004","11.9373","0.0005","14.2375","0.0006","104.703","0.002","102.28","0.002","109.581","0.002","1310.36","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tribenzoylpyrene","pyrene-1,3,6-triyltris(phenylmethanone)","","- C37 H22 O3 -","- C37 H22 O3 -","- C74 H44 O6 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0855","0.0421","","","0.114","0.161","","","","","","1.082","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225000","5.6503","0.0016","20.897","0.005","12.787","0.003","90","","101.506","0.012","90","","1479.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrabenzoylpyrene","pyrene-1,3,6,8-tetrayltetrakis(phenylmethanone)","","- C44 H26 O4 -","- C44 H26 O4 -","- C88 H52 O8 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0623","0.0403","","","0.1084","0.1253","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225001","21.563","0.005","14.172","0.005","13.642","0.005","90","","106.815","0.005","90","","3991","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.2 H39.8 Cd N10.4 O8.4 -","- C22 H16 Cd N7 O5 -","- C88 H64 Cd4 N28 O20 -","4","1","","Yang, Liu; Li, Xiao; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min","A fluorescent sensor for highly selective sensing of nitro explosives and Hg(ii) ions based on a 3D porous layer metal‒organic framework","CrystEngComm","2016","18","25","4765","","10.1039/C6CE00745G","","","0.71069","MoKα","","0.0545","0.0373","","","0.0904","0.0935","","","","","","1.04","","","","has coordinates","185210","2020-10-21","18:00:00",""
"7225002","8.522","0.0002","15.459","0.0001","15.7009","0.0002","90","","122.166","0.001","90","","1750.97","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N6 O S2 Zn -","- C15 H12 N6 O S2 Zn -","- C60 H48 N24 O4 S8 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","1.5418","CuKα","","0.0357","0.0282","","","0.0662","0.0697","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225003","27.2384","0.001","12.3781","0.0002","23.7446","0.0009","90","","133.803","0.007","90","","5777.9","0.7","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N10 O9 Zn -","- C26 H25.192 N10 O8.596 Zn -","- C208 H201.536 N80 O68.768 Zn8 -","8","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0303","0.0274","","","0.0626","0.0637","","","","","","1.028","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225004","12.4748","0.0003","19.5344","0.0003","10.0185","0.0002","90","","90","","90","","2441.39","0.09","130","0.1","130","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Cd N8 O2 -","- C26 H22 Cd N8 O2 -","- C104 H88 Cd4 N32 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.7107","MoKα","","0.0418","0.0289","","","0.0639","0.0711","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225005","7.5604","0.0003","8.0042","0.0003","15.2219","0.0006","93.114","0.002","103.265","0.002","115.536","0.002","796.58","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 I2 N4 O Zn -","- C13 H12 I2 N4 O Zn -","- C26 H24 I4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.038","0.0276","","","0.0613","0.0649","","","","","","1.033","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225006","7.5331","0.0009","7.832","0.001","14.7352","0.0018","93.269","0.001","103.01","0.001","116.005","0.001","749.16","0.16","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br2 N4 O Zn -","- C13 H12 Br2 N4 O Zn -","- C26 H24 Br4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0283","0.0217","","","0.0488","0.0508","","","","","","1.044","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225007","8.874","0.003","15.738","0.005","15.117","0.007","90","","95.4","0.02","90","","2101.9","1.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd I2 N4 O3 -","- C15 H20 Cd I2 N4 O3 -","- C60 H80 Cd4 I8 N16 O12 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.021","0.0203","","","0.0507","0.051","","","","","","1.161","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225008","7.8599","0.0001","14.8149","0.0002","15.7341","0.0002","90","","93.383","0.001","90","","1828.94","0.04","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 Cd N4 O2 -","- C14 H16 Br2 Cd N4 O2 -","- C56 H64 Br8 Cd4 N16 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.028","0.0218","","","0.041","0.0427","","","","","","1.06","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225009","26.559","0.0016","27.6534","0.0016","21.9738","0.0012","90","","120.836","0.001","90","","13857.2","1.4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H52 N51 O89 Si2 W24 Zn12.5 -","- C34 H35 N51 O89 Si2 W24 Zn12.5 -","- C136 H140 N204 O356 Si8 W96 Zn50 -","4","0.5","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71073","MoKα","","0.0874","0.0547","","","0.1268","0.1462","","","","","","1.013","","","","has coordinates,has disorder","186358","2020-10-21","18:00:00",""
"7225010","18.517","0.0008","15.842","0.0011","26.966","0.005","90","0.001","92.78","0.001","90","0.001","7901.1","1.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N10 O54 Pb2 Si W12 -","- C50 H40 N10 O54 Pb2 Si W12 -","- C200 H160 N40 O216 Pb8 Si4 W48 -","4","1","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71069","MoKα","","0.0508","0.032","","","0.0549","0.0599","","","","","","1.011","","","","has coordinates","186358","2020-10-21","18:00:00",""
"7225011","9.3446","0.0005","9.4052","0.0006","26.2178","0.0017","90","","92.274","0.003","90","","2302.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl6 N10 Pt -","- C42 H54 Cl6 N10 Pt -","- C84 H108 Cl12 N20 Pt2 -","2","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.1306","0.0735","","","0.1266","0.1397","","","","","","1.16","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225012","12.9443","0.0005","13.0808","0.0005","15.1903","0.0006","109.653","0.002","113.249","0.002","92.7","0.002","2176.92","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 Cl6 N10 Pt -","- C40 H50 Cl6 N10 Pt -","- C80 H100 Cl12 N20 Pt2 -","2","1","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.1024","0.0601","","","0.1005","0.1129","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225013","14.2649","0.0005","18.1921","0.0005","23.1012","0.0007","90","","90","","90","","5995","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H50 Br12 Cl2 N10 Pt -","- C42 H50 Br12 Cl2 N10 Pt -","- C168 H200 Br48 Cl8 N40 Pt4 -","4","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.0929","0.0587","","","0.114","0.1291","","","","","","1.115","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225014","13.1946","0.0002","17.8886","0.0002","23.6588","0.0003","90","","90","","90","","5584.26","0.13","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Cl14 D2 N10 Pt -","- C42 H50 Cl14 N10 Pt -","- C168 H200 Cl56 N40 Pt4 -","4","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.057","0.0288","","","0.0545","0.0626","","","","","","1.024","","","","has coordinates","183790","2020-10-21","18:00:00",""
"7225015","17.028","0.004","16.746","0.004","17.575","0.004","90","","113.781","0.003","90","","4586","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H65 Co N3 O4 -","- C48 H65 Co N3 O4 -","- C192 H260 Co4 N12 O16 -","4","1","","Ghosh, Pritam; Banerjee, Priyabrata","How paramagnetic and diamagnetic LMOCs detect picric acid from surface water and the intracellular environment: a combined experimental and DFT-D3 study.","Physical chemistry chemical physics : PCCP","2016","18","33","22805","22815","10.1039/c6cp01620k","","","0.71073","MoKα","","0.0735","0.0412","","","0.0842","0.0969","","","","","","1.014","","","","has coordinates","186491","2020-10-21","18:00:00",""
"7225016","7.9146","0.0016","10.34","0.002","11.03","0.002","89.02","0.03","80.45","0.03","82.36","0.03","882.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","DFTCNQ-DPTTA","","- C46 H24 F2 N4 S4 -","- C46 H24 F2 N4 S4 -","- C46 H24 F2 N4 S4 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.0691","0.0546","","","0.1251","0.135","","","","","","1.088","","","","has coordinates,has disorder","183791","2020-10-21","18:00:00",""
"7225017","7.7712","0.0016","11.266","0.002","11.337","0.002","74.094","0.008","78.856","0.009","80.05","0.009","929","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SNTCNQ-DPTTA","","- C46 H24 N6 S5 -","- C46 H24 N6 S5 -","- C46 H24 N6 S5 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.052","0.0489","","","0.1133","0.1154","","","","","","1.111","","","","has coordinates,has disorder","183791","2020-10-21","18:00:00",""
"7225018","7.9463","0.0016","10.099","0.002","11.251","0.002","88.15","0.03","81.09","0.03","82.6","0.03","884.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","TFTCNQ-DPTTA","","- C46 H22 F4 N4 S4 -","- C46 H22 F4 N4 S4 -","- C46 H22 F4 N4 S4 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.0967","0.0821","","","0.199","0.2124","","","","","","1.135","","","","has coordinates","183791","2020-10-21","18:00:00",""
"7225019","12.1246","0.0004","12.2087","0.0005","12.4991","0.0004","90","","91.394","0.003","90","","1849.64","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Mg N2 O6 -","- C6 H8 Mg N2 O6 -","- C48 H64 Mg8 N16 O48 -","8","2","","Mączka, Mirosław; Marinho Costa, Nathalia Leal; Gągor, Anna; Paraguassu, Waldeci; Sieradzki, Adam; Hanuza, Jerzy","Structural, thermal, dielectric and phonon properties of perovskite-like imidazolium magnesium formate.","Physical chemistry chemical physics : PCCP","2016","18","20","13993","14000","10.1039/c6cp01353h","","x-ray","0.71073","MoKα","","0.0865","0.0458","","","0.0966","0.1142","","","","","","1.025","","","","has coordinates","183792","2020-10-21","18:00:00",""
"7225038","13.883","0.003","5.6927","0.0011","13.226","0.003","90","","90.43","0.03","90","","1045.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-tellura-1,3-dithiaferrocenophane","","- C10 H8 Fe S2 Te -","- C10 H8 Fe S2 Te -","- C40 H32 Fe4 S8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0319","0.0281","","","0.0759","0.0793","","","","","","1.041","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225039","11.705","0.002","9.7452","0.0019","9.1003","0.0018","90","","90","","90","","1038","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-diselena-2-thia-ferrocenophane","","- C10 H8 Fe S Se2 -","- C10 H8 Fe S Se2 -","- C40 H32 Fe4 S4 Se8 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0457","0.0386","","","0.0882","0.0928","","","","","","1.072","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225040","14.174","0.003","5.798","0.0012","13.574","0.003","90","","90.19","0.03","90","","1115.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-diselena-2-telluraferrocenophane","","- C10 H8 Fe Se2 Te -","- C10 H8 Fe Se2 Te -","- C40 H32 Fe4 Se8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0721","0.0483","","","0.1023","0.1166","","","","","","1.095","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225041","13.514","0.003","10.494","0.002","16.226","0.003","90","","90","","90","","2301.1","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-ditellura-2-thiaferrocenophane","","- C10 H8 Fe S Te2 -","- C10 H8 Fe S Te2 -","- C80 H64 Fe8 S8 Te16 -","8","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.1264","0.0683","","","0.0819","0.0933","","","","","","1.168","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225042","11.8549","0.0013","16.4789","0.0018","17.32","0.0019","90","","101.091","0.002","90","","3320.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-tyrosiniumpolyiodide hydrate","compound 1","","- C18 H25 I8 N2 O6.5 -","- C18 H25 I8 N2 O6.5 -","- C72 H100 I32 N8 O26 -","4","2","","Lamberts, Kevin; Handels, Philipp; Englert, Ulli; Aubert, Emmanuel; Espinosa, Enrique","Stabilization of polyiodide chains via anion⋯anion interactions: experiment and theory","CrystEngComm","2016","18","21","3832","","10.1039/C6CE00396F","","","0.71073","MoKα","","0.0555","0.0494","","","0.1241","0.1301","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225043","9.4953","0.0004","7.4545","0.0004","23.2683","0.001","90","","92.551","0.004","90","","1645.36","0.13","190","","190","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hemitriiodide","","- C15 H17.5 I1.5 N O2 -","- C15 H17.5 I1.5 N O2 -","- C60 H70 I6 N4 O8 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","1.5418","CuKα","","0.048","0.045","","0.1345","0.1296","0.1345","","","","","","0.9861","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225044","13.5939","0.0011","7.2782","0.0005","19.7522","0.0016","90","","109.567","0.009","90","","1841.4","0.3","301","","301","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hydriodide trihydrate","","- C15 H24 I N O5 -","- C15 H24 I N O5 -","- C60 H96 I4 N4 O20 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","0.71073","MoKα","","0.0793","0.0565","","0.1356","0.1201","0.1356","","","","","","0.9748","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225045","13.1828","0.0004","14.6064","0.0005","18.7024","0.0012","89.99","0.004","75.962","0.004","73.901","0.003","3347.9","0.3","100.01","0.1","100.01","","","","","","","","","5","P -1","-P 1","2","agomelatine iodine ‒ triiodide","agomelatine hemitriiodide iodine","","- C60 H68 I8 N4 O8 -","- C60 H70 I8 N4 O8 -","- C120 H140 I16 N8 O16 -","2","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","x-ray","0.71073","MoKα","","0.0229","0.0181","","","0.0443","0.0467","","","","1.17","1.17","1.15","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225046","13.6238","0.001","14.4019","0.001","16.3902","0.0012","78.797","0.001","77.346","0.001","65.537","0.001","2836.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0589","0.0478","","","0.1271","0.1378","","","","","","0.951","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225047","13.6332","0.0018","14.3983","0.0019","16.347","0.002","78.969","0.003","77.335","0.003","65.518","0.002","2831","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1106","0.0699","","","0.1269","0.1495","","","","","","0.967","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225048","13.659","0.003","14.392","0.003","16.317","0.003","78.947","0.003","77.37","0.004","65.555","0.004","2830.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1129","0.0898","","","0.1854","0.2028","","","","","","1.083","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225049","13.616","0.003","14.396","0.003","16.304","0.003","78.978","0.004","77.352","0.004","65.513","0.003","2819.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1096","0.0599","","","0.0935","0.112","","","","","","0.937","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225050","13.6431","0.0017","14.3607","0.0019","16.245","0.002","79.042","0.002","77.557","0.002","65.639","0.002","2812.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0535","0.0416","","","0.0935","0.1013","","","","","","1.027","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225051","13.6739","0.0008","14.3581","0.0008","16.2252","0.0009","79.064","0.001","77.579","0.001","65.711","0.001","2817.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0524","0.0417","","","0.105","0.1155","","","","","","1.037","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225052","13.6709","0.0018","14.3413","0.0018","16.202","0.002","79.129","0.002","77.703","0.002","65.706","0.002","2810.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0706","0.0506","","","0.11","0.1213","","","","","","1.003","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225053","13.6968","0.0015","14.3565","0.0017","16.2082","0.0017","79.075","0.002","77.696","0.002","65.666","0.002","2818.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0704","0.0492","","","0.1063","0.1222","","","","","","1.051","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225054","13.6997","0.0017","14.3367","0.0018","16.203","0.002","79.004","0.002","77.826","0.002","65.631","0.002","2814.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0539","0.0412","","","0.0893","0.0948","","","","","","0.98","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225055","8.3992","0.0007","9.6188","0.0008","17.1946","0.0014","80.489","0.001","81.363","0.001","80.311","0.001","1339.78","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.032","0.0291","","","0.0684","0.0698","","","","","","1.059","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225056","7.8172","0.0008","10.1764","0.001","16.325","0.0017","82.035","0.001","86.015","0.001","69.337","0.001","1203.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0355","0.0348","","","0.0936","0.0943","","","","","","1.089","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225057","8.2486","0.0003","8.2486","0.0003","65.782","0.004","90","","90","","90","","4475.8","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C108 H80 Er4 N12 O24 -","- C108 H80 Er4 N12 O24 -","- C216 H160 Er8 N24 O48 -","2","0.25","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0288","0.0278","","","0.0802","0.0808","","","","","","1.072","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225058","8.959","0.0006","11.0509","0.0007","14.1615","0.0009","81.507","0.001","76.996","0.001","67.683","0.001","1260.76","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0249","0.0231","","","0.0508","0.0521","","","","","","1.036","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225059","8.6593","0.0009","11.3825","0.0012","14.6811","0.0015","69.244","0.002","73.365","0.002","82.764","0.002","1296","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0275","0.0241","","","0.053","0.0544","","","","","","1.048","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225060","8.6566","0.0011","11.3992","0.0015","14.6846","0.0018","69.373","0.002","73.559","0.002","82.771","0.002","1300.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0318","0.0285","","","0.0575","0.0592","","","","","","1.087","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225061","8.5902","0.0005","11.3902","0.0007","14.602","0.0009","69.573","0.001","73.741","0.001","82.79","0.001","1284.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0267","0.0239","","","0.0505","0.0518","","","","","","1.029","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225062","19.5429","0.0008","4.7197","0.0001","17.2626","0.0007","90","","114.668","0.005","90","","1446.94","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","0.5","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0353","0.0335","","","0.0686","0.0692","","","","","","1.306","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225063","9.8401","0.0004","12.0388","0.0005","15.2173","0.0005","95.386","0.003","106.844","0.003","112.289","0.004","1553.6","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O6 P2 -","- C13 H18 N2 O6 P2 -","- C52 H72 N8 O24 P8 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0593","0.0406","","","0.0851","0.092","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225064","9.1052","0.0002","9.5324","0.0003","20.3596","0.0006","79.976","0.002","86.857","0.002","69.836","0.002","1633.45","0.08","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 N2 O12 P4 -","- C26 H48 N2 O12 P4 -","- C52 H96 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0344","0.0297","","","0.0883","0.0912","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225065","42.86","0.009","11.426","0.002","7.3826","0.0015","90","","90.59","0.03","90","","3615.2","1.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C28 H52 N2 O12 P4 -","- C28 H52 N2 O12 P4 -","- C112 H208 N8 O48 P16 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0598","0.0504","","","0.1039","0.1079","","","","","","1.131","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225066","9.1687","0.0004","9.605","0.0004","17.9827","0.0007","79.13","0.003","89.668","0.003","70.32","0.003","1461.54","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0424","0.034","","","0.0875","0.093","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225067","23.4234","0.0007","4.64205","0.00013","16.9643","0.0005","90","","104.72","0.003","90","","1784.03","0.09","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O6 P2 -","- C15 H28 N O6 P2 -","- C60 H112 N4 O24 P8 -","4","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0694","0.0435","","","0.0888","0.0974","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225068","4.7551","0.0001","8.7442","0.0003","22.6864","0.0008","81.639","0.003","87.13","0.003","88.196","0.003","931.81","0.05","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 N O6 P2 -","- C16 H30 N O6 P2 -","- C32 H60 N2 O12 P4 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0464","0.0375","","","0.0909","0.0967","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225069","9.1869","0.0018","9.2725","0.0019","24.348","0.005","83.68","0.03","81.01","0.03","81.4","0.03","2017.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H64 N2 O12 P4 -","- C34 H64 N2 O12 P4 -","- C68 H128 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0892","0.0717","","","0.1843","0.1933","","","","","","1.115","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225070","13.0898","0.0015","13.0898","0.0015","16.96","0.003","90","","90","","90","","2906","0.7","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H60 B Cl F4 N8 O8 Re2 -","- C60 H60 B Cl F4 N8 O8 Re3 -","- C120 H120 B2 Cl2 F8 N16 O16 Re6 -","2","0.25","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0691","0.0367","","","0.0996","0.1224","","","","","","1.315","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225071","8.7092","0.0007","17.5095","0.0015","12.4774","0.001","90","","90","","90","","1902.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C80 H88 Cd4 N8 O20 -","4","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0317","0.0237","","","0.0636","0.0834","","","","","","1.198","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225072","10.0056","0.0005","10.264","0.0005","22.7508","0.001","84.883","0.004","81.606","0.004","63.403","0.005","2066.07","0.19","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cd2 N4 O8 -","- C42 H48 Cd2 N4 O8 -","- C84 H96 Cd4 N8 O16 -","2","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","1.54178","CuKα","","0.0642","0.045","","","0.1058","0.1179","","","","","","1.014","","","","has coordinates,has disorder","185223","2020-10-21","18:00:00",""
"7225073","10.815","0.002","19.201","0.004","7.858","0.0016","90","","104.8","0.03","90","","1577.6","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Cai, Jinhui; Li, Feifei; Deng, Guo-Jun; Ji, Xiaochen; Huang, Huawen","The cyclopropylimine rearrangement/Povarov reaction cascade for the assembly of pyrrolo[3,2-c]quinoline derivatives","Green Chem.","2016","18","12","3503","","10.1039/C6GC00779A","","","0.71073","MoKα","","0.1286","0.076","","","0.2097","0.2812","","","","","","1.149","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225077","15.4558","0.0007","18.7716","0.001","26.327","0.0012","90","","90","","90","","7638.3","0.6","294.3","0.5","294.3","0.5","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H21 N4 O2.5 -","- C20 H21 N4 O2.5 -","- C320 H336 N64 O40 -","16","2","","Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang","Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions","Green Chem.","2016","18","15","4216","","10.1039/C6GC00724D","","","0.71073","MoKα","","0.0955","0.0561","","","0.1147","0.1366","","","","","","1.0392","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225078","10.3603","0.0015","13.054","0.002","14.655","0.003","75.239","0.015","84.652","0.014","69.915","0.014","1800","0.6","291.6","0.2","291.6","0.2","","","","","","","","4","P -1","-P 1","2","Spirooxindole","2'-amino-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile","","- C20 H11 N3 O4 -","- C20 H11 N3 O4 -","- C80 H44 N12 O16 -","4","2","","Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang","Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions","Green Chem.","2016","18","15","4216","","10.1039/C6GC00724D","","x-ray","0.71073","MoKα","","0.1796","0.0942","","","0.2287","0.2954","","","","","","0.9953","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225079","9.2607","0.0002","12.0677","0.0003","31.0183","0.0007","90","","97.604","0.003","90","","3435.98","0.14","285.9","0.6","285.9","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Co3 N4 O10 -","- C24 H18 Co3 N4 O10 -","- C96 H72 Co12 N16 O40 -","4","1","","Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","A CoII-based metal‒organic framework based on [Co6(μ3-OH)4] units exhibiting selective sorption of C2H2over CO2and CH4","CrystEngComm","2016","18","21","3760","","10.1039/C6CE00709K","","x-ray","0.71","MoKα","","0.0836","0.0582","","","0.1905","0.2157","","","","","","1.094","","","","has coordinates,has disorder","185244","2020-10-21","18:00:00",""
"7225080","9.9523","0.0007","9.9523","0.0007","36.798","0.003","90","","90","","90","","3644.8","0.5","293","2","293","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","NNU-32","","","- C34 H14 In O8 -","- C34 H14 In O8 -","- C68 H28 In2 O16 -","2","0.125","","Li, Xingyu; Chen, Dashu; Liu, Yue; Yu, Ziyang; Xia, Qiansu; Xing, Hongzhu; Sun, Wendong","Anthracene-based indium metal‒organic framework as a promising photosensitizer for visible-light-induced atom transfer radical polymerization","CrystEngComm","2016","18","20","3696","","10.1039/C6CE00465B","","","0.71073","MoKα","","0.0756","0.0413","","","0.1038","0.1151","","","","","","0.963","","","","has coordinates","185236","2020-10-21","18:00:00",""
"7225090","8.888","0.004","16.396","0.008","14.795","0.007","90","","90","","90","","2156","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Ag2 N6 O6 -","- C18 H16 Ag2 N6 O6 -","- C72 H64 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.042","0.0349","","","0.1039","0.1084","","","","","","1.085","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225091","13.3465","0.0017","7.1935","0.0009","19.632","0.003","90","","102.694","0.001","90","","1838.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Ag2 N6 O6 -","- C19 H12 Ag2 N6 O6 -","- C76 H48 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0481","0.0322","","","0.0713","0.0813","","","","","","1.007","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225092","18.11","0.013","14.899","0.011","10.013","0.007","90","","104.397","0.008","90","","2617","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Ag6 N8 O8 -","- C22 H10 Ag6 N8 O8 -","- C88 H40 Ag24 N32 O32 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0733","0.0635","","","0.1672","0.1751","","","","","","0.998","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225093","13.3233","0.0005","7.3226","0.0002","8.0133","0.0003","90","","97.8638","0.0009","90","","774.44","0.05","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Br K N2 O3 -","- C4 H4 Br K N2 O3 -","- C16 H16 Br4 K4 N8 O12 -","4","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0115","2.09046","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225094","14.1395","0.0006","7.374","0.0003","13.9831","0.0006","90","","102.141","0.002","90","","1425.33","0.1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Br N2 Na O3 -","- C4 H4 Br N2 Na O3 -","- C32 H32 Br8 N16 Na8 O24 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0649","8.84972","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225095","8.2776","0.0004","21.885","0.003","7.16","0.0006","90","","90","","90","","1297.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C32 H32 Br4 N16 O24 Rb4 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","","","0.71073","MoKα","","0.0438","0.0246","","","0.0476","0.0501","","","","","","0.934","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225096","13.1709","0.0004","13.5041","0.0005","14.1929","0.0005","85.631","0.003","89.267","0.002","63.403","0.003","2250.03","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0431","0.0364","","","0.1021","0.1079","","","","","","1.079","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225097","13.2476","0.0004","13.6218","0.0004","14.1692","0.0005","85.747","0.002","88.605","0.003","63.083","0.003","2273.51","0.14","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.047","0.0375","","","0.1082","0.1149","","","","","","1.113","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225098","13.2798","0.0005","13.6291","0.0005","14.1655","0.0004","85.823","0.003","88.506","0.003","63.048","0.004","2279.23","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0537","0.0433","","","0.1194","0.1272","","","","","","1.125","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225099","13.192","0.0011","13.5237","0.001","14.1426","0.0008","85.88","0.005","89.094","0.006","63.263","0.008","2247.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0442","0.0354","","","0.0998","0.1048","","","","","","1.07","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225100","13.2572","0.0008","13.5997","0.0007","14.1795","0.0007","85.809","0.004","88.882","0.004","63.111","0.005","2273.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0551","0.0433","","","0.1168","0.126","","","","","","1.067","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225101","50.824","0.0014","11.369","0.0003","17.604","0.0004","90","","90","","90","","10171.9","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 Nd6 O44 S9 -","- C79 H79 N5 Nd6 O44 S9 -","- C316 H316 N20 Nd24 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0442","0.0312","","","0.0576","0.0631","","","","","","1.079","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225102","50.925","0.0014","11.3821","0.0003","17.6499","0.0004","90","","90","","90","","10230.5","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 Pr6 S9 -","- C79 H79 N5 O44 Pr6 S9 -","- C316 H316 N20 O176 Pr24 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0411","0.032","","","0.0613","0.0649","","","","","","1.025","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225103","17.3778","0.0004","11.64042","0.00019","18.3475","0.0004","90","","110.413","0.003","90","","3478.36","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27 H28 N3 O14.5 S3 Tb2 -","- C28 H28 N2 O14.5 S3 Tb2 -","- C112 H112 N8 O58 S12 Tb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0323","0.0271","","","0.0698","0.0728","","","","","","1.088","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225104","17.2053","0.0008","11.6462","0.0004","18.2629","0.0009","90","","110.462","0.005","90","","3428.6","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C23.5 H27 N8 O13.5 S3 Yb2 -","- C28 H28 N2 O14.5 S3 Yb2 -","- C112 H112 N8 O58 S12 Yb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0624","0.0566","","","0.1091","0.1118","","","","","","1.165","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225105","17.3974","0.0003","11.64531","0.00019","18.375","0.0004","90","","110.319","0.002","90","","3491.09","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Gd2 N2 O15 S3 -","- C28 H28 Gd2 N2 O15 S3 -","- C112 H112 Gd8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0379","0.0323","","","0.0791","0.0827","","","","","","1.105","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225106","17.3358","0.0004","11.6348","0.0002","18.3198","0.0004","90","","110.426","0.003","90","","3462.74","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Dy2 N2 O15 S3 -","- C28 H28 Dy2 N2 O15 S3 -","- C112 H112 Dy8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0384","0.0327","","","0.0733","0.0775","","","","","","1.045","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225107","51.1545","0.0014","11.4493","0.0003","17.7196","0.0005","90","","90","","90","","10378.1","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 Ce6 N5 O44 S9 -","- C79 H79 Ce6 N5 O44 S9 -","- C316 H316 Ce24 N20 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0603","0.0549","","","0.1383","0.1417","","","","","","1.09","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225108","50.641","0.003","11.353","0.0008","17.5277","0.001","90","","90","","90","","10077.2","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 S9 Sm6 -","- C79 H79 N5 O44 S9 Sm6 -","- C316 H316 N20 O176 S36 Sm24 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0304","0.0268","","","0.0611","0.0622","","","","","","1.163","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225109","11.2547","0.0005","17.5664","0.0008","16.8496","0.0009","90","","93.473","0.002","90","","3325.1","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H47 Eu4 N3 O29 S6 -","- C51 H47 Eu4 N3 O29 S6 -","- C102 H94 Eu8 N6 O58 S12 -","2","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0328","0.0311","","","0.071","0.0718","","","","","","1.131","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225126","33.368","0.009","13.694","0.003","23.569","0.007","90","","133.022","0.01","90","","7874","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,6-tris(phenylthio)-1,3,5-triazine","","- C21 H15 N3 S3 -","- C21 H15 N3 S3 -","- C336 H240 N48 S48 -","16","2","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0847","0.0523","","","0.1161","0.1345","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225127","7.5595","0.0016","9.694","0.002","29.683","0.006","90","","96.753","0.004","90","","2160.1","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-tris(p-tolylthio)-1,3,5-triazine","","- C24 H21 N3 S3 -","- C24 H21 N3 S3 -","- C96 H84 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.077","0.0514","","","0.1233","0.1545","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225128","10.233","0.003","14.35","0.004","14.563","0.004","90","","90.98","0.005","90","","2138.2","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((4-chlorophenyl)thio)-1,3,5-triazine","","- C21 H12 Cl3 N3 S3 -","- C21 H12 Cl3 N3 S3 -","- C84 H48 Cl12 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.08","0.0461","","","0.1043","0.1298","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225129","20.799","0.004","7.8317","0.0015","15.126","0.003","90","","109.382","0.005","90","","2324.3","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-tris((3-nitrophenyl)thio)-1,3,5-triazine","","- C21 H12 N6 O6 S3 -","- C21 H12 N6 O6 S3 -","- C84 H48 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2272","0.0756","","","0.1106","0.1432","","","","","","0.964","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225130","12.642","0.003","8.916","0.002","23.281","0.005","90","","97.804","0.006","90","","2599.8","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((2-methyl-5-nitrophenyl)thio)-1,3,5-triazine","","- C24 H18 N6 O6 S3 -","- C24 H18 N6 O6 S3 -","- C96 H72 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1009","0.0495","","","0.0995","0.1167","","","","","","1.007","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225131","9.411","0.002","12.295","0.003","13.934","0.003","108.662","0.004","108.819","0.003","92.389","0.004","1426.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 N3 S3 -","- C30 H27 F3 N3 S3 -","- C60 H54 F6 N6 S6 -","2","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1076","0.093","","","0.245","0.2863","","","","","","1.163","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225132","11.446","0.002","9.9569","0.0018","22.647","0.004","90","","93.964","0.008","90","","2574.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 S3 -","- C27 H27 N3 S3 -","- C108 H108 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0946","0.0508","","","0.1135","0.1324","","","","","","1.022","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225133","13.491","0.005","10.406","0.004","23.955","0.009","90","","94.092","0.007","90","","3354","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 N3 S3 -","- C36 H45 N3 S3 -","- C144 H180 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2417","0.0807","","","0.127","0.1836","","","","","","0.906","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225134","9.899","0.003","12.113","0.003","20.03","0.005","90","","90","","90","","2401.7","1.1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H3 F12 N3 S3 -","- C21 H3 F12 N3 S3 -","- C84 H12 F48 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair–π–lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1336","0.045","","","0.0761","0.1014","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225136","17.507","0.004","14.509","0.004","14.459","0.004","90","","121.212","0.007","90","","3141.1","1.4","296","2","296","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C32 H32 Cl2 Cu24 N48 O80 P2 W24 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0845","0.0643","","","0.1419","0.1479","","","","","","1.096","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225137","17.436","0.002","14.52","0.002","14.457","0.003","90","","121.431","0.004","90","","3123","0.9","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C32 H32 Cl2 Cu24 Mo24 N48 O80 P2 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0732","0.0562","","","0.1113","0.119","","","","","","1.051","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225145","9.2965","0.001","15.3442","0.0018","27.151","0.003","90","","91.243","0.003","90","","3872.1","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Co F12 Gd N3 O10 -","- C35 H26 Co F12 Gd N3 O10 -","- C140 H104 Co4 F48 Gd4 N12 O40 -","4","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0686","0.0468","","","0.0922","0.1001","","","","","","1.059","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225146","18.2485","0.0006","15.8544","0.0006","28.0187","0.0009","90","","90","","90","","8106.3","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 F12 Gd N3 Ni O10 -","- C35 H26 F12 Gd N3 Ni O10 -","- C280 H208 F96 Gd8 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0513","0.0363","","","0.0798","0.0884","","","","","","0.964","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225147","18.235","0.0011","15.8583","0.0011","28.0209","0.0019","90","","90","","90","","8103","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 Dy F12 N3 Ni O10 -","- C35 H26 Dy F12 N3 Ni O10 -","- C280 H208 Dy8 F96 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.062","0.0358","","","0.0741","0.0849","","","","","","1.02","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225148","8.7174","0.0019","8.617","0.002","12.019","0.003","90","","93.283","0.006","90","","901.4","0.4","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.052","0.0457","","","0.1007","0.1037","","","","","","0.965","","","","has coordinates","185219","2020-10-21","18:00:00",""
"7225149","8.7522","0.0004","8.6342","0.0004","12.141","0.0006","90","","90.136","0.004","90","","917.47","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.0265","0.0255","","","0.0651","0.0659","","","","","","1.035","","","","has coordinates,has disorder","185219","2020-10-21","18:00:00",""
"7225150","10.6574","0.0016","14.801","0.002","7.7136","0.0011","90","","97.635","0.003","90","","1206","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.35 Cl0.65 N2 Zn -","- C10 H8 Br1.346 Cl0.654 N2 Zn -","- C40 H32 Br5.384 Cl2.616 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0864","0.0418","","","0.0769","0.088","","","","","","1.032","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225151","10.7037","0.0016","14.806","0.002","7.7392","0.0012","90","","97.673","0.003","90","","1215.5","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.51 Cl0.49 N2 Zn -","- C10 H8 Br1.512 Cl0.488 N2 Zn -","- C40 H32 Br6.048 Cl1.952 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0425","0.0289","","","0.0691","0.0738","","","","","","1.077","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225152","10.755","0.006","14.818","0.008","7.775","0.004","90","","97.568","0.009","90","","1228.3","1.1","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.75 Cl0.25 N2 Zn -","- C10 H8 Br1.754 Cl0.246 N2 Zn -","- C40 H32 Br7.016 Cl0.984 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0587","0.0313","","","0.0633","0.0706","","","","","","1.042","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225153","7.5299","0.0006","8.7931","0.0007","9.0498","0.0007","112.835","0.0019","94.457","0.002","95.707","0.002","545.06","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 Zn -","- C10 H8 Cl2 N2 Zn -","- C20 H16 Cl4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0309","0.0244","","","0.0557","0.0577","","","","","","1.038","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225154","7.5668","0.001","8.8117","0.0011","9.083","0.0011","113.005","0.0018","94.6504","0.0019","95.787","0.0019","549.79","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.19 Cl1.81 N2 Zn -","- C10 H8 Br0.1859 Cl1.8141 N2 Zn -","- C20 H16 Br0.3718 Cl3.6282 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0247","0.0201","","","0.0471","0.0484","","","","","","1.073","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225155","7.6518","0.0005","8.8233","0.0006","9.1333","0.0006","113.523","0.0013","95.1819","0.0015","95.9954","0.0015","556.37","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.62 Cl1.38 N2 Zn -","- C10 H8 Br0.6191 Cl1.3809 N2 Zn -","- C20 H16 Br1.2382 Cl2.7618 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0209","0.0175","","","0.0436","0.0448","","","","","","1.038","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225156","7.6883","0.0008","8.8529","0.0009","9.1701","0.0009","113.7","0.0013","95.3265","0.0014","95.9991","0.0014","562.12","0.1","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.88 Cl1.12 N2 Zn -","- C10 H8 Br0.8808 Cl1.1192 N2 Zn -","- C20 H16 Br1.7616 Cl2.2384 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0202","0.0175","","","0.0441","0.045","","","","","","1.066","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225157","7.7335","0.0013","8.9213","0.0015","9.2304","0.0016","114.064","0.004","95.245","0.004","96.005","0.004","571.96","0.17","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.37 Cl0.64 N2 Zn -","- C10 H8 Br1.365 Cl0.635 N2 Zn -","- C20 H16 Br2.73 Cl1.27 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0522","0.035","","","0.0785","0.0811","","","","","","0.957","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225158","7.785","0.004","8.976","0.005","9.255","0.005","114.285","0.007","95.568","0.007","95.95","0.008","579.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.71 Cl0.29 N2 Zn -","- C10 H8 Br1.711 Cl0.289 N2 Zn -","- C20 H16 Br3.422 Cl0.578 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.095","0.0634","","","0.1482","0.166","","","","","","1.085","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225159","7.882","0.006","9.046","0.007","9.355","0.007","114.689","0.014","95.786","0.016","95.861","0.015","595.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C20 H16 Br4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.1121","0.0719","","","0.1996","0.2251","","","","","","1.047","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225160","10.6281","0.0012","14.7546","0.0016","7.6742","0.0008","90","","97.2146","0.0016","90","","1193.9","0.2","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C40 H32 Br3.6 Cl4.4 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0461","0.0354","","","0.0809","0.0846","","","","","","1.165","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225161","10.7082","0.0005","14.7769","0.0007","7.7285","0.0003","90","","97.3492","0.0014","90","","1212.87","0.09","321","2","321","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.36 Cl0.64 N2 Zn -","- C10 H8 Br1.358 Cl0.642 N2 Zn -","- C40 H32 Br5.432 Cl2.568 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.05","0.0289","","","0.0666","0.0732","","","","","","1.035","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225162","10.826","0.003","14.85","0.004","7.813","0.002","90","","97.435","0.005","90","","1245.5","0.6","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.77 Cl0.23 N2 Zn -","- C10 H8 Br1.766 Cl0.234 N2 Zn -","- C40 H32 Br7.064 Cl0.936 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0586","0.0313","","","0.0696","0.0782","","","","","","1.015","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225163","10.8238","0.0018","14.807","0.002","7.8103","0.0012","90","","97.425","0.003","90","","1241.2","0.3","320","2","320","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C40 H32 Br8 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0697","0.0351","","","0.0772","0.0886","","","","","","1.026","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225164","9.3081","0.0019","14.1","0.003","18.227","0.004","90","","96.81","0.03","90","","2375.3","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[Zn(1,3-BDC)(abimb)]?H2O}n","","- C26 H21 N5 O5 Zn -","- C26 H21 N5 O5 Zn -","- C104 H84 N20 O20 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.085","0.0654","","","0.1388","0.1505","","","","","","1.016","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225165","11.976","0.002","13.901","0.003","17.491","0.006","90","","119.05","0.02","90","","2545.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn(5-Br-1,3-BDC)(bimcz)]n","","- C26 H16 Br N5 O4 Zn -","- C26 H16 Br N5 O4 Zn -","- C104 H64 Br4 N20 O16 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.2732","0.1205","","","0.1937","0.2538","","","","","","1.074","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225166","7.2124","","29.0912","","11.686","","90","","106.181","","90","","2354.8","","119.8","0.3","119.8","","","","","","","","","5","P 1 21 1","P 2yb","4","Phase 1","Sitagliptin L-tartrate Phase 1","","- C40 H44 F12 N10 O15 -","- C40 H44 F12 N10 O15 -","- C80 H88 F24 N20 O30 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1042","0.1141","","","","1.22","1.22","1.22","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225167","7.21076","0.00011","11.66322","0.00014","15.64522","0.00015","99.3299","0.0008","98.8646","0.0013","105.99","0.0012","1220.43","0.03","293","","293","","","","","","","","","5","P 1","P 1","1","Phase 2","Sitagliptin L-tartrate Phase 2","","- C20 H21 F6 N5 O7 -","- C20 H15 F6 N5 O7.5 -","- C40 H30 F12 N10 O15 -","2","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","powder diffraction","x-ray","1.5418","CuKα","","0.0583","0.0583","","0.0759","0.0759","","","","5.91","","","","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225168","45.2368","0.0004","8.2403","0.0004","7.1817","0.0018","90","","95.326","0.004","90","","2665.5","0.7","119.98","0.1","120","","","","","","","","","5","C 1 2 1","C 2y","5","tetrahydrate","Sitagliptin L-tartrate tetrahydrate","","- C20 H20 F6 N5 O11.227 -","- C20 H20 F6 N5 O11.22 -","- C80 H80 F24 N20 O44.88 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.0716","0.0669","","","0.1678","0.1707","","","","2.51","2.51","2.42","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225169","9.6555","0.0004","10.5975","0.0005","18.1996","0.0008","86.088","0.002","85.13","0.002","68.108","0.002","1720.38","0.13","296","2","296","2","","","","","","","syntheised","3","P -1","-P 1","2","1,4-Di(17-H-tetrabenzo[a,c,g,i]fluorenemethyl)benzene","1,4-Di(tetrabenzo[a,c,g,i]fluorenemethyl)benzene","","- C45 H45 O -","- C45 H45 O -","- C90 H90 O2 -","2","1","","Sampath, Srinivasan; Boopathi, A. A.; Mandal, A. B.","""Bottom-up"" self-assembly and ""cold crystallization"" of butterfly shaped tetrabenzofluorene molecules.","Physical chemistry chemical physics : PCCP","2016","18","31","21251","21258","10.1039/c6cp02662a","","","0.71073","MoKα","","0.1393","0.0706","","","0.1714","0.2082","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225170","28.6573","0.0003","28.6573","0.0003","28.6573","0.0003","90","","90","","90","","23534.5","0.4","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C50 H68 N14 O16 Zn2 -","- C35 H28 N9 O9 Zn2 -","- C420 H336 N108 O108 Zn24 -","12","0.25","","Han, Yun-Hu; Zhou, Zhong-Yuan; Tian, Chong-Bin; Du, Shao-Wu","A dual-walled cage MOF as an efficient heterogeneous catalyst for the conversion of CO2under mild and co-catalyst free conditions","Green Chem.","2016","18","14","4086","","10.1039/C6GC00413J","","","0.71073","MoKα","","0.0738","0.0726","","","0.2318","0.2349","","","","","","1.302","","","","has coordinates","185559","2020-10-21","18:00:00",""
"7225173","12.1488","0.001","10.8376","0.0008","12.125","0.0009","90","","107.254","0.003","90","","1524.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0637","0.0324","","","0.0617","0.0703","","","","","","1.023","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225174","13.03","0.005","11.026","0.005","17.428","0.005","90","0.005","100.716","0.005","90","0.005","2460.2","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N5 O3 Sn -","- C20 H35 N5 O3 Sn -","- C80 H140 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0794","0.0487","","","0.1343","0.1475","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225175","12.117","0.005","9.762","0.005","12.936","0.005","90","","103.504","0.005","90","","1487.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0455","0.0338","","","0.0782","0.0981","","","","","","1.118","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225176","16.6335","0.0008","18.0945","0.0009","15.1131","0.0008","90","","111.797","0.001","90","","4223.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 N4 O9 Sn2 -","- C34 H62 N4 O9 Sn2 -","- C136 H248 N16 O36 Sn8 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0408","0.0341","","","0.0827","0.0863","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225177","10.7847","0.0006","7.4633","0.0004","19.1432","0.001","90","","100.684","0.001","90","","1514.11","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N5 O3 Sn -","- C11 H19 N5 O3 Sn -","- C44 H76 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0251","0.0223","","","0.0568","0.0599","","","","","","1.071","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225178","24.5009","0.0007","21.006","0.0006","35.5102","0.0011","90","","90","","90","","18275.9","0.9","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H53 Ce Fe2 N6 O87 P2 W20 -","- C10 Ce0.99 Fe2 N6 O87 P2 W20 -","- C80 Ce7.92 Fe16 N48 O696 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1415","0.0726","","","0.1401","0.1646","","","","","","1.064","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225179","24.4846","0.0014","21.2236","0.0013","35.6854","0.0016","90","","90","","90","","18544","1.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H57 Fe2 La N6 O89 P2 W20 -","- C10 Fe2 La N6 O84 P2 W20 -","- C80 Fe16 La8 N48 O672 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.2144","0.0865","","","0.1245","0.151","","","","","","1.036","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225180","31.9258","0.0011","31.9258","0.0011","20.7484","0.0015","90","","90","","120","","18314.7","1.6","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H97 Fe2 N8 O105 P2 Sm W20 -","- C4 Fe2 O80 P2 Sm W20 -","- C24 Fe12 O480 P12 Sm6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1255","0.0729","","","0.1463","0.1572","","","","","","1.014","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225181","31.9128","0.001","31.9128","0.001","20.7587","0.0009","90","","90","","120","","18308.8","1.1","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H89 Fe2 N8 O101 P2 Tb W20 -","- C8 Fe2 N4 O94.6667 P2 Tb W20 -","- C48 Fe12 N24 O568 P12 Tb6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1124","0.0653","","","0.1512","0.1675","","","","","","1.046","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225182","28.6873","0.0009","28.6873","0.0009","15.9087","0.001","90","","90","","120","","11338.2","0.9","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N'-dimethylformamide) solvate","","- C144 H156 Co12 N12 O60 -","- C126 H114 Co12 N6 O54 -","- C378 H342 Co36 N18 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","0.71073","MoKα","","0.1194","0.0538","","","0.1141","0.1331","","","","","","0.901","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225183","12.3354","0.0005","12.8534","0.0007","14.3146","0.0005","91.265","0.004","97.978","0.003","94.724","0.004","2238.71","0.17","121","1","121","1","","","","","","","","5","P -1","-P 1","2","","di(acetato)-di(chrysazinato)-pyridine-tri(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N-dimethylformamide) solvate","","- C46 H44 Co3 N4 O15 -","- C46 H44 Co3 N4 O15 -","- C92 H88 Co6 N8 O30 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.7107","MoKα","","0.0401","0.0298","","","0.0675","0.0722","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225184","15.6278","0.0016","15.6996","0.0015","29.048","0.003","90.9201","0.001","104.139","0.0016","90.234","0.0013","6909.9","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","di[tetra(chrysazinato)-tetra(N,N-dimethylformamide)-tetra-cobalt(II)] di(N,N-dimethylformamide) solvate hemihydrate","","- C143.05 H120.45 Co8 N10.35 O42.85 -","- C142 H118 Co8 N10 O42.5 -","- C284 H236 Co16 N20 O85 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.0696","0.0627","","","0.1777","0.1829","","","","","","1.07","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225185","13.5308","0.0003","7.7288","0.0002","19.6854","0.0004","90","","99.38","0.002","90","","2031.11","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di(chrysazinato)-di-copper(II)","","- C28 H12 Cu2 O8 -","- C28 H12 Cu2 O8 -","- C112 H48 Cu8 O32 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.5418","CuKα","","0.0364","0.0314","","","0.088","0.0921","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225186","40.04","0.03","40.04","0.03","3.674","0.003","90","","90","","120","","5101","7","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","di(chrysazinato)di-copper(II) N,N'-dimethylformamide solvate","","- C29.33 H15.11 Cu2 N0.44 O8.44 -","- C28 H12 Cu2 O8 -","- C252 H108 Cu18 O72 -","9","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.6889","synchrotron","","0.0528","0.0503","","","0.1297","0.1317","","","","","","1.145","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225187","7.90242","0.00016","19.4909","0.0004","18.5266","0.0004","90","","90","","90","","2853.56","0.1","119.95","0.1","119.95","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","di(chrysazinato)-bis(dimethylsulfoxide)-di-copper(II)","","- C32 H24 Cu2 O10 S2 -","- C32 H24 Cu2 O10 S2 -","- C128 H96 Cu8 O40 S8 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0996","0.1019","","","","","","1.055","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225188","10.0131","0.0004","8.4169","0.0004","18.1414","0.0008","90","","100.448","0.004","90","","1503.59","0.12","269.95","0.1","269.95","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N2 O10 -","- C34 H28 Fe N2 O10 -","- C68 H56 Fe2 N4 O20 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.54184","CuKα","","0.0444","0.0385","","","0.1055","0.1113","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225189","8.2927","0.0004","15.5166","0.0007","15.8042","0.0006","118.226","0.004","92.344","0.004","92.239","0.004","1786.34","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tri(chrysazinato)-di-iron(III) N,N-dimethylformamide solvate hemihydrate","","- C45 H26 Fe2 N O13.5 -","- C45 H26 Fe2 N O13.5 -","- C90 H52 Fe4 N2 O27 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0619","0.0516","","","0.1349","0.144","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225190","28.6809","0.0007","28.6809","0.0007","15.8967","0.0004","90","","90","","120","","11324.6","0.5","120.1","0.14","120.1","0.14","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-tetra-cobalt(II) N,N-dimethylformamide solvate","","- C144 H156 N12 Ni12 O60 -","- C126 H114 N6 Ni12 O54 -","- C378 H342 N18 Ni36 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0319","0.0291","","","0.0831","0.0847","","","","","","1.048","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225191","9.7302","0.0006","13.4388","0.0005","17.0848","0.0007","95.504","0.003","97.873","0.004","95.172","0.004","2190.67","0.18","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","","tetra(acetato)-tetra(chrysazinato)-tetra(N,N-dimethylformamide)-hexa-nickel(II) bis(N,N-dimethylformamide) solvate","","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","1","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0719","0.0598","","","0.166","0.181","","","","","","1.025","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225192","9.578","0.0007","11.0933","0.0008","20.1508","0.0014","90","","99.517","0.006","90","","2111.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N8 Ni2 O20 -","- C40 H36 N8 Ni2 O20 -","- C80 H72 N16 Ni4 O40 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.1422","0.0765","","","0.1479","0.1696","","","","","","1.135","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225193","9.422","0.0019","10.196","0.002","25.032","0.005","90","","96.37","0.03","90","","2389.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H36 N2 O17 Zn3 -","- C54 H36 N2 O17 Zn3 -","- C108 H72 N4 O34 Zn6 -","2","1","","Hu, Shuzhi; You, Maolin; Chen, Shuhuang; Fu, Zhiyong","A fast-response photochromic host‒guest coordination polymer with a close-packed stacking structure","CrystEngComm","2016","18","38","7221","","10.1039/C6CE00727A","","","0.71073","MoKα","","0.1401","0.0593","","","0.1062","0.166","","","","","","0.974","","","","has coordinates","187032","2020-10-21","18:00:00",""
"7225194","15.7172","0.0009","4.0206","0.0002","17.5023","0.001","90","","114.595","0.001","90","","1005.67","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C40 H36 Br4 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0529","0.0362","","","0.0912","0.1001","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225195","3.9208","0.0002","11.0581","0.0007","12.1034","0.0007","79.857","0.001","86.846","0.001","80.343","0.001","509.07","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0435","0.039","","","0.1037","0.1078","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225196","4.0982","0.0003","13.3942","0.0009","20.0019","0.0014","90","","91.125","0.001","90","","1097.73","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0622","0.0554","","","0.164","0.1714","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225197","18.77","0.002","4.742","0.0005","23.122","0.003","90","","90.86","0.001","90","","2057.8","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C80 H72 Br8 O24 -","8","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.055","0.0443","","","0.1043","0.1109","","","","","","1.075","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225198","9.9527","0.0005","10.3401","0.0005","12.2625","0.0006","82.421","0.0008","83.5482","0.0009","82.2157","0.0009","1233.65","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27.5 H28 O6 -","- C27.5 H28 O6 -","- C55 H56 O12 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0746","0.0668","","","0.1925","0.2028","","","","","","1.042","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225199","7.738","0.0006","8.1099","0.0006","10.0048","0.0008","71.822","0.001","84.921","0.001","64.415","0.001","537.24","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C24 H24 O6 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0719","0.0617","","","0.1697","0.1813","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225200","7.5522","0.0009","8.1546","0.001","8.99","0.0011","91.546","0.002","111.209","0.002","94.653","0.002","513.5","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0669","0.0484","","","0.1301","0.1484","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225201","8.3783","0.0004","9.3392","0.0005","9.5107","0.0005","75.719","0.001","82.633","0.001","69.677","0.001","675.55","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O6 -","- C31 H32 O6 -","- C31 H32 O6 -","1","0.5","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0536","0.0483","","","0.1307","0.1376","","","","","","1.045","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225202","9.0513","0.0005","10.3906","0.0005","14.5614","0.0007","108.141","0.001","102.794","0.001","94.194","0.001","1254.09","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 Br2 O9 -","- C22 H26 Br2 O9 -","- C44 H52 Br4 O18 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis–trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0649","0.0482","","","0.1227","0.1317","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225203","26.9829","0.001","37.6059","0.0015","19.3314","0.0007","90","","90","","90","","19615.9","1.3","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H38 Cu2 Mo16 N24 O57 -","- C32 H32 Cu2 Mo16 N24 O57 -","- C256 H256 Cu16 Mo128 N192 O456 -","8","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0828","0.0561","","","0.1605","0.1743","","","","","","1.081","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225204","27.09","0.0013","38.276","0.0013","19.107","0.0008","90","","90","","90","","19812","1.4","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C16 H22 Co Mo8 N12 O30 -","- C16 H16 Co Mo8 N12 O30 -","- C256 H256 Co16 Mo128 N192 O480 -","16","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0746","0.0475","","","0.1396","0.1507","","","","","","1.082","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225205","12.932","0.0004","18.982","0.0006","21.457","0.0007","90","","102.729","0.001","90","","5137.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Ag4 Mo24 N24 O90 P2 -","- C32 H32 Ag4 Mo24 N24 O90 P2 -","- C64 H64 Ag8 Mo48 N48 O180 P4 -","2","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0523","0.0486","","","0.1104","0.1121","","","","","","1.031","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225206","12.7322","0.001","13.6706","0.0011","16.522","0.0014","89.582","0.002","87.082","0.002","86.877","0.002","2867.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H38 Ag N6 O49 P W12 -","- C21 H24 Ag N6 O49 P W12 -","- C42 H48 Ag2 N12 O98 P2 W24 -","2","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0981","0.0722","","","0.1954","0.2218","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7225207","5.7985","0.0011","11.964","0.003","17.496","0.003","101.978","0.007","97.828","0.007","90.114","0.008","1175.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F4 N3 O5 S -","- C25 H21 F4 N3 O5 S -","- C50 H42 F8 N6 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0828","0.0536","","","0.1214","0.1308","","","","","","1.125","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225208","5.8888","0.0003","21.5969","0.0011","19.2814","0.001","90","","97.821","0.002","90","","2429.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N3 O6 S -","- C25 H21 F4 N3 O6 S -","- C100 H84 F16 N12 O24 S4 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0389","0.03","","","0.0696","0.0741","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225209","18.972","0.002","11.8654","0.0013","7.9166","0.0009","90","","90","","90","","1782.1","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H12 F18 N P -","- C10 H12 F18 N P -","- C40 H48 F72 N4 P4 -","4","0.5","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.0422","0.0391","","","0.1141","0.1176","","","","","","1.1","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225210","17.591","0.003","17.971","0.003","18.534","0.003","90","","90","","90","","5859.1","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H36 F18 N P -","- C22 H36 F18 N P -","- C176 H288 F144 N8 P8 -","8","1","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.097","0.0745","","","0.1165","0.124","","","","","","1.185","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225211","13.312","0.006","28.997","0.013","13.523","0.006","90","","94.059","0.009","90","","5207","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H36 F6 N2 O4 S2 -","- C18 H36 F6 N2 O4 S2 -","- C144 H288 F48 N16 O32 S16 -","8","4","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.1276","0.0947","","","0.1823","0.2122","","","","","","1.097","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225235","18.188","0.004","22.992","0.005","14.357","0.003","90","","125.36","0.03","90","","4896","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H90 Cd3 N18 O51 Sb6 V15 -","- C18 H72 Cd3 N18 O51 Sb6 V15 -","- C36 H144 Cd6 N36 O102 Sb12 V30 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1059","0.083","","","0.2124","0.2305","","","","","","1.022","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225236","12.4887","0.0007","12.4887","0.0007","39.986","0.005","90","","90","","120","","5401","0.8","292","2","292","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 N12 Ni2 O48 Sb6 V15 -","- C12 H42 N12 Ni2 O48 Sb6 V15 -","- C36 H126 N36 Ni6 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0995","0.089","","","0.2245","0.2432","","","","","","1.076","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225237","12.4543","0.0018","12.4543","0.0018","39.916","0.008","90","","90","","120","","5361.9","1.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 Co2 N12 O48 Sb6 V15 -","- C12 H42 Co2 N12 O48 Sb6 V15 -","- C36 H126 Co6 N36 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0608","0.0501","","","0.1324","0.1415","","","","","","1.038","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225238","13.6766","0.001","11.9042","0.0005","19.2758","0.0015","90","","109.348","0.009","90","","2961","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H16 O48 Sb8 V14 -","- O48 Sb8 V14 -","- O96 Sb16 V28 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1011","0.0676","","","0.1731","0.2071","","","","","","1.021","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225239","29.05","0.006","15.812","0.003","21.821","0.004","90","","128.43","0.03","90","","7852","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H70 Co2 N12 O47 Sb8 V14 -","- C18 H60 Co2 N12 O47 Sb8 V14 -","- C72 H240 Co8 N48 O188 Sb32 V56 -","4","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0533","0.0405","","","0.0949","0.0988","","","","","","1.08","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225240","7.488","0.0015","13.035","0.003","15.569","0.003","105.68","0.03","101.8","0.03","90.67","0.03","1428.5","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 Cl2 O8 -","- C33 H30 Cl2 O8 -","- C66 H60 Cl4 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0541","0.0505","","","0.1346","0.1374","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225241","7.523","0.0015","11.901","0.002","15.487","0.003","107.5","0.03","101.49","0.03","96.92","0.03","1271.5","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0636","0.0527","","","0.1349","0.1432","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225242","26.689","0.005","15.869","0.003","7.169","0.0014","90","","101.83","0.03","90","","2971.8","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl2 O8 -","- C34 H28 Cl2 O8 -","- C136 H112 Cl8 O32 -","4","0.5","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.1024","0.0884","","","0.2488","0.2597","","","","","","1.768","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225243","7.312","0.0015","23.629","0.005","20.889","0.004","90","","90","","90","","3609.1","1.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H30 Br6 O8 -","- C34 H30 Br6 O8 -","- C136 H120 Br24 O32 -","4","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0506","0.0498","","","0.1304","0.131","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225244","17.042","0.01","19.312","0.011","25.505","0.015","111.723","0.008","93.518","0.008","102.47","0.008","7521","8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H155 N7 O26 Zn8 -","- C139 H155 N7 O26 Zn8 -","- C278 H310 N14 O52 Zn16 -","2","1","","Kumari, Harshita; Mayhan, Collin M.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Metal exchange study of pyrogallol[4]arene based dimers","CrystEngComm","2016","18","26","4909","","10.1039/C6CE00639F","","","0.71073","MoKα","","0.3279","0.1297","","","0.3363","0.446","","","","","","1.006","","","","has coordinates","185189","2020-10-21","18:00:00",""
"7225245","23.519","0.004","23.519","0.004","10.8159","0.0013","90","","90","","120","","5181.2","1.4","120","2","120","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene tetrahydrofuran solvate","","- C35.6 H45.2 O9.4 -","- C34 H42 O9 -","- C204 H252 O54 -","6","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.144","0.0987","","","0.2474","0.2724","","","","","","1.103","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225246","13.3213","0.0002","13.3213","0.0002","31.0721","0.0006","90","","90","","90","","5513.96","0.16","120","2","120","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene diethyl ether solvate","","- C30 H38 O8 -","- C30 H38 O8 -","- C240 H304 O64 -","8","0.5","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0455","0.0451","","","0.1161","0.1168","","","","","","1.041","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225247","8.8058","0.0005","9.1775","0.0006","14.0128","0.0008","84.071","0.005","85.136","0.004","82.927","0.005","1114.83","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene ethyl acetate solvate","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0719","0.0622","","","0.176","0.1941","","","","","","1.042","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225248","23.2178","0.0016","25.566","0.002","10.7276","0.0007","90","","116.349","0.006","90","","5706.2","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene chloroform solvate","","- C24.15 H20.15 Cl6.44 O6 -","- C23 H19 Cl3 O6 -","- C184 H152 Cl24 O48 -","8","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1144","0.0868","","","0.2545","0.2839","","","","","","1.046","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225249","13.1161","0.0004","11.8371","0.0003","24.858","0.0007","90","","97.306","0.003","90","","3828.03","0.19","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene hemihydratehemi-diethyl ether solvate","","- C24 H24 O5 -","- C24 H23 O5 -","- C192 H184 O40 -","8","2","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1069","0.0683","","","0.1783","0.206","","","","","","1.034","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225250","9.6831","0.0002","11.9425","0.0002","18.3518","0.0004","90","","90","","90","","2122.21","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene 1,4-dioxane solvate","","- C26 H26 O6 -","- C26 H26 O6 -","- C104 H104 O24 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0401","0.038","","","0.0974","0.0994","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225251","8.7138","0.0004","14.7312","0.0007","15.9961","0.0008","90","","90","","90","","2053.34","0.17","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-methoxytriptycene","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.0745","0.0534","","","0.1147","0.1247","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225252","5.9523","0.0005","6.7864","0.0005","12.7209","0.0011","87.987","0.003","89.585","0.003","84.399","0.004","511.08","0.07","150","","150","","","","","","","","","3","P -1","-P 1","2","Methyl propionate","Methyl propanoate","","- C4 H8 O2 -","- C4 H8 O2 -","- C16 H32 O8 -","4","2","","McFarlane, Andrew R.; Geller, Hannah; Silverwood, Ian P.; Cooper, Richard I.; Watkin, David J.; Parker, Stewart F.; Winfield, John M.; Lennon, David","The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica.","Physical chemistry chemical physics : PCCP","2016","18","26","17210","17216","10.1039/c6cp01276k","","","0.71073","MoKα","","0.0893","0.0644","","0.212","0.1851","0.212","","","","","","0.8768","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225253","7.651","0.0015","21.538","0.004","12.283","0.003","90","","98.89","0.03","90","","1999.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Dy N5 O22 -","- C34 H26 Dy N5 O17 -","- C68 H52 Dy2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0743","0.0715","","","0.1849","0.1877","","","","","","1.084","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225254","7.6434","0.0015","21.477","0.004","12.246","0.002","90","","98.6","0.03","90","","1987.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Er N5 O22 -","- C34 H26 Er N5 O17 -","- C68 H52 Er2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0734","0.0693","","","0.1758","0.1794","","","","","","1.093","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225255","7.6624","0.0015","21.609","0.004","12.271","0.003","90","","98.79","0.03","90","","2007.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Gd N5 O22 -","- C34 H26 Gd N5 O17 -","- C68 H52 Gd2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0941","0.0838","","","0.2225","0.2311","","","","","","1.1","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225256","7.6418","0.0015","21.485","0.004","12.249","0.002","90","","98.71","0.03","90","","1987.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 N5 O22 Tm -","- C34 H27 N5 O17 Tm -","- C68 H54 N10 O34 Tm2 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0687","0.0665","","","0.1764","0.179","","","","","","1.099","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225257","5.0156","0.001","18.675","0.004","22.796","0.005","90","","95.41","0.03","90","","2125.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N3 O10 Tm -","- C20 H18 N3 O10 Tm -","- C80 H72 N12 O40 Tm4 -","4","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0453","0.0374","","","0.074","0.0774","","","","","","1.154","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225258","6.8757","0.0014","11.325","0.002","13.463","0.003","102.54","0.03","102.36","0.03","90.49","0.03","997.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Gd N3 O11 -","- C19 H18 Gd N3 O11 -","- C38 H36 Gd2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.023","0.0213","","","0.0562","0.0569","","","","","","1.063","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225259","6.9004","0.0014","11.235","0.002","13.381","0.003","102.47","0.03","101.76","0.03","90.56","0.03","990.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Er N3 O11 -","- C19 H18 Er N3 O11 -","- C38 H36 Er2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0535","0.044","","","0.0892","0.0931","","","","","","0.977","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225260","6.9043","0.0014","11.198","0.002","13.366","0.003","102.73","0.03","101.74","0.03","90.49","0.03","985.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N3 O11 Tm -","- C19 H18 N3 O11 Tm -","- C38 H36 N6 O22 Tm2 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0198","0.0179","","","0.0455","0.0459","","","","","","1.048","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225261","8.476","0.002","9.029","0.002","10.274","0.003","73.979","0.003","85.725","0.003","84.377","0.003","751.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cd Cl N6 O -","- C12 H10 Cd Cl N6 O -","- C24 H20 Cd2 Cl2 N12 O2 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0314","0.028","","","0.0696","0.072","","","","","","1.048","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225262","6.3373","0.0008","10.7022","0.0014","11.3187","0.0015","107.774","0.002","95.235","0.002","104.287","0.001","696.78","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N7 O3 -","- C12 H8 Cd N7 O3 -","- C24 H16 Cd2 N14 O6 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0302","0.0264","","","0.0597","0.0617","","","","","","1.058","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225263","10.5519","0.0014","12.7771","0.0017","11.4874","0.0015","90","","93.251","0.002","90","","1546.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cd N6 O3 -","- C14 H13 Cd N6 O3 -","- C56 H52 Cd4 N24 O12 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.042","0.0292","","","0.0629","0.069","","","","","","1.013","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225264","21.508","0.004","14.936","0.003","10.109","0.002","90","","95.266","0.002","90","","3233.7","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd3 N24 -","- C24 H16 Cd3 N24 -","- C96 H64 Cd12 N96 -","4","0.5","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.051","0.0366","","","0.096","0.106","","","","","","1.045","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225265","24.09","0.002","14.7011","0.0014","20.418","0.002","90","","122.311","0.001","90","","6111.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cd2 N14 O7 -","- C25 H20 Cd2 N14 O7 -","- C200 H160 Cd16 N112 O56 -","8","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0546","0.0326","","","0.069","0.0795","","","","","","1.03","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225266","13.076","0.008","12.914","0.008","11.69","0.007","90","","104.749","0.008","90","","1909","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cd2 N12 O2 -","- C14 H11 Cd2 N12 O2 -","- C56 H44 Cd8 N48 O8 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0559","0.0358","","","0.068","0.0764","","","","","","1.078","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225267","24.442","0.004","15.052","0.003","8.5086","0.0015","90","","108.057","0.002","90","","2976.1","0.9","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C136 H128 N8 O16 S8 -","4","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.0621","0.0453","","","0.1088","0.1178","","","","","","1.051","","","","has coordinates,has disorder","301865","2025-08-22","16:16:53",""
"7225268","5.271","0.007","9.681","0.013","28.26","0.04","90","","94.742","0.016","90","","1437","3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C68 H64 N4 O8 S4 -","2","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.2543","0.1412","","","0.3028","0.3692","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225269","8.87","0.013","9.773","0.014","13.13","0.03","94.98","0.02","93.06","0.02","116.609","0.015","1008","3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","1","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.2914","0.1161","","","0.2137","0.2638","","","","","","1.082","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225270","7.8929","0.0013","13.988","0.002","14.098","0.002","100.29","0.002","99.834","0.002","102.275","0.002","1460.7","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C68 H64 N4 O8 S4 -","2","1","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.0707","0.0416","","","0.0905","0.1029","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225274","11.725","0.002","17.259","0.003","16.041","0.003","90","","90.789","0.009","90","","3245.8","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C152 H168 N24 O8 -","8","1","","Lezana, Nicolás; Matus-Pérez, Massiel; Galdámez, Antonio; Lühr, Susan; Vilches-Herrera, Marcelo","Highly stereoselective and catalyst-free synthesis of annulated tetrahydropyridines by intramolecular imino-Diels–Alder reaction under microwave irradiation in water","Green Chem.","2016","18","13","3712","","10.1039/C6GC00912C","","","0.71073","MoKα","","0.106","0.0982","","","0.2434","0.2486","","","","","","1.123","","","","has coordinates","301865","2025-08-22","16:16:53",""
"7225275","13.61","0.003","15.446","0.003","15.506","0.003","98.661","0.003","107.06","0.002","112.68","0.003","2743.8","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H81 N2 Nd O5 -","- C55 H81 N2 Nd O5 -","- C110 H162 N4 Nd2 O10 -","2","1","","Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming","Cooperative rare earth metal–zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide","Green Chem.","2016","18","15","4270","","10.1039/C6GC00511J","","","0.71075","MoKα","","0.0811","0.0672","","","0.1283","0.1376","","","","","","1.121","","","","has coordinates,has disorder","301865","2025-08-22","16:16:54",""
"7225276","15.2272","0.0013","14.1936","0.0011","24.434","0.002","90","","99.252","0.002","90","","5212.2","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H79 N2 O4 Y -","- C55 H79 N2 O4 Y -","- C220 H316 N8 O16 Y4 -","4","1","","Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming","Cooperative rare earth metal–zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide","Green Chem.","2016","18","15","4270","","10.1039/C6GC00511J","","","0.71075","MoKα","","0.1297","0.0851","","","0.1648","0.189","","","","","","1.056","","","","has coordinates,has disorder","301865","2025-08-22","16:16:54",""
"7225277","25.713","0.003","25.211","0.003","25.54","0.003","90","","115.838","0.003","90","","14901","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C142 H214 N4 Nd2 O10 Zn -","- C142 H124 N4 Nd2 O10 Zn -","- C568 H496 N16 Nd8 O40 Zn4 -","4","0.5","","Qin, Jie; Xu, Bin; Zhang, Yong; Yuan, Dan; Yao, Yingming","Cooperative rare earth metal‒zinc based heterometallic catalysts for copolymerization of CO2and cyclohexene oxide","Green Chem.","2016","18","15","4270","","10.1039/C6GC00511J","","","0.71075","MoKα","","0.099","0.0813","","","0.2179","0.2378","","","","","","1.069","","","","has coordinates,has disorder","185556","2020-10-21","18:00:00",""
"7225280","12.9417","0.0002","21.8435","0.0003","15.0559","0.0002","90","","94.18","0.0013","90","","4244.86","0.1","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu1.5 H24.5 O52.25 P W12 -","- Cu1.5 O52.25 P W12 -","- Cu6 O209 P4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.036","0.0291","","","0.0635","0.0656","","","","","","1.167","","","","has coordinates,has disorder","185267","2020-10-21","18:00:00",""
"7225281","12.9789","0.0006","22.2778","0.001","15.469","0.0005","90","","94.527","0.004","90","","4458.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0505","0.0373","","","0.0888","0.0969","","","","","","1.081","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225282","12.8897","0.0004","14.007","0.0005","15.3382","0.0004","63.169","0.003","71.079","0.003","63.827","0.003","2190.49","0.14","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu4 O112 Si2 W24 -","2","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.031","0.0266","","","0.0576","0.059","","","","","","1.154","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225283","12.901","0.0003","22.1952","0.0004","15.3468","0.0003","90","","94.432","0.002","90","","4381.27","0.16","123.7","0.6","123.7","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0353","0.0276","","","0.0553","0.0575","","","","","","1.106","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225284","12.795","0.003","17.242","0.004","16.094","0.004","90","","111.687","0.004","90","","3299.2","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu2 Mo8 N16 O26 -","- C48 H40 Cu2 Mo8 N16 O26 -","- C96 H80 Cu4 Mo16 N32 O52 -","2","0.5","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0614","0.0385","","","0.0871","0.0973","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225285","16.2672","0.0018","12.932","0.0016","13.5101","0.0016","90","","107.112","0.002","90","","2716.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu Mo N4 O4 -","- C12 H10 Cu Mo N4 O4 -","- C96 H80 Cu8 Mo8 N32 O32 -","8","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0666","0.0595","","","0.1596","0.1684","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225286","11.833","0.003","13.247","0.003","13.648","0.003","90","","103.555","0.003","90","","2079.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu Mo4 N4 O14 -","- C12 H10 Cu Mo4 N4 O14 -","- C48 H40 Cu4 Mo16 N16 O56 -","4","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0603","0.0532","","","0.1484","0.1546","","","","","","0.996","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225287","6.2723","0.0012","6.2723","0.0012","6.2723","0.0012","90","","90","","90","","246.76","0.08","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","CH3NH3PbI3","","- C H6 I3 N Pb -","- C I3 N Pb -","- C I3 N Pb -","1","0.0208333","","Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua","Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability","CrystEngComm","2016","18","28","5257","","10.1039/C6CE00375C","","","0.71073","MoKα","","0.0433","0.0418","","","0.1016","0.1036","","","","","","1.2","","","","has coordinates","185272","2020-10-21","18:00:00",""
"7225288","8.6729","0.0015","11.3034","0.0019","13.751","0.002","85.039","0.003","74.421","0.003","78.507","0.003","1271.7","0.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H33 B2 F8 Ir N4 O2 -","- C18 H33 B2 F8 Ir N4 O2 -","- C36 H66 B4 F16 Ir2 N8 O4 -","2","1","","Lu, Sheng-Mei; Wang, Zhijun; Li, Jun; Xiao, Jianliang; Li, Can","Base-free hydrogenation of CO2to formic acid in water with an iridium complex bearing a N,N′-diimine ligand","Green Chem.","2016","18","16","4553","","10.1039/C6GC00856A","","","0.71073","MoKα","","0.068","0.0486","","","0.1202","0.1312","","","","","","1.021","","","","has coordinates,has disorder","186446","2020-10-21","18:00:00",""
"7225302","14.7021","0.0011","7.1057","0.0008","9.676","0.0007","90","","90","","90","","1010.84","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.024","0.0189","","","0.0464","0.0475","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225303","14.7044","0.0011","7.1209","0.0008","9.6716","0.0007","90","","90","","90","","1012.7","0.16","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0245","0.0198","","","0.0481","0.0491","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225304","14.7115","0.0011","7.1415","0.0008","9.6639","0.0007","90","","90","","90","","1015.31","0.16","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0253","0.0203","","","0.0508","0.0519","","","","","","1.024","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225305","14.7211","0.0011","7.1625","0.0008","9.6562","0.0007","90","","90","","90","","1018.15","0.16","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0261","0.0209","","","0.051","0.0523","","","","","","1.034","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225306","14.7279","0.0011","7.1809","0.0008","9.6504","0.0007","90","","90","","90","","1020.62","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0263","0.0211","","","0.0519","0.053","","","","","","1.041","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225307","14.739","0.0011","7.2001","0.0008","9.6461","0.0007","90","","90","","90","","1023.67","0.16","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0273","0.0218","","","0.0522","0.0536","","","","","","1.065","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225308","14.736","0.002","7.222","0.0011","9.6239","0.0013","90","","90","","90","","1024.2","0.3","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0313","0.0262","","","0.0603","0.0625","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225309","14.755","0.002","7.2394","0.0011","9.6181","0.0013","90","","90","","90","","1027.4","0.3","233","2","233","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0324","0.0268","","","0.0613","0.0638","","","","","","1.099","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225310","14.77","0.002","7.254","0.0011","9.6152","0.0013","90","","90","","90","","1030.2","0.3","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0329","0.0273","","","0.0632","0.0658","","","","","","1.076","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225311","14.787","0.002","7.2696","0.0011","9.6113","0.0013","90","","90","","90","","1033.2","0.3","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0339","0.0272","","","0.0638","0.0663","","","","","","1.081","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225312","14.804","0.002","7.2851","0.0011","9.6112","0.0014","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0342","0.0268","","","0.0619","0.0647","","","","","","1.084","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225313","14.815","0.002","7.2951","0.0011","9.6129","0.0013","90","","90","","90","","1038.9","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0326","0.0266","","","0.0608","0.0631","","","","","","1.123","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225314","14.825","0.002","7.3004","0.0011","9.6126","0.0014","90","","90","","90","","1040.4","0.3","313","2","313","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0334","0.0268","","","0.0624","0.0647","","","","","","1.125","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225315","14.832","0.002","7.3084","0.0011","9.6102","0.0014","90","","90","","90","","1041.7","0.3","323","2","323","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0345","0.0273","","","0.0635","0.0661","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225316","14.841","0.002","7.3153","0.0011","9.61","0.0013","90","","90","","90","","1043.3","0.3","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0341","0.0282","","","0.0651","0.0673","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225317","14.851","0.002","7.3236","0.0011","9.609","0.0013","90","","90","","90","","1045.1","0.3","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0355","0.0282","","","0.0643","0.0671","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225318","14.86","0.002","7.3294","0.0011","9.6098","0.0014","90","","90","","90","","1046.7","0.3","353","2","353","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0359","0.029","","","0.0645","0.067","","","","","","1.094","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225319","14.872","0.002","7.3394","0.0011","9.6071","0.0014","90","","90","","90","","1048.6","0.3","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0356","0.028","","","0.0631","0.0663","","","","","","1.056","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225320","14.877","0.002","7.3463","0.0012","9.6072","0.0014","90","","90","","90","","1050","0.3","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0377","0.0288","","","0.0643","0.0679","","","","","","1.058","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225321","14.881","0.002","7.3506","0.0012","9.6096","0.0014","90","","90","","90","","1051.1","0.3","383","2","383","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.037","0.0288","","","0.0658","0.0689","","","","","","1.053","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225322","14.896","0.003","7.3587","0.0015","9.6062","0.0017","90","","90","","90","","1053","0.4","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0375","0.0287","","","0.0637","0.067","","","","","","1.074","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225330","11.8182","0.0014","12.3712","0.0013","18.764","0.002","90","","90","","90","","2743.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O6 -","- C27 H33 N7 O6 -","- C108 H132 N28 O24 -","4","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate–water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2251","0.1122","","","0.2715","0.3493","","","","","","1.194","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225331","14.3519","0.0009","21.1721","0.0013","21.6903","0.0012","90","","90","","90","","6590.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C216 H288 Cl24 N56 O48 -","8","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.067","0.0505","","","0.1341","0.1481","","","","","","0.994","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225332","15.3493","0.0011","15.4384","0.0013","21.013","0.0016","84.839","0.006","75.566","0.005","61.549","0.005","4237.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H103 N17 O35 S3 -","- C60 H80 N16 O34 S3 -","- C120 H160 N32 O68 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1012","0.0749","","","0.2137","0.2383","","","","","","0.895","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225333","15.1064","0.0003","15.1064","0.0003","12.4344","0.0005","90","","90","","120","","2457.41","0.12","298","2","298","2","","","","","","","","5","R 3","R 3","146","","","","- C27 H36 Br3 F7 N4 -","- C27 H36 Br3 F7 N4 -","- C81 H108 Br9 F21 N12 -","3","","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.0937","0.0514","","","0.1164","0.1319","","","","","","0.891","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225334","15.3545","0.0017","15.5993","0.0018","21.362","0.002","83.354","0.006","72.763","0.006","62.704","0.006","4341.4","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H116 Br6 N12 O24 S3 -","- C57 H79 Br6 N9 O21 S3 -","- C114 H158 Br12 N18 O42 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2168","0.0843","","","0.2171","0.254","","","","","","0.837","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225335","7.86","0.0006","11.1738","0.001","19.087","0.0017","77.214","0.006","85.475","0.005","75.105","0.006","1579.4","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C54 H72 Cl6 N14 O12 -","2","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1279","0.0825","","","0.1866","0.2112","","","","","","0.989","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225336","20.1102","0.0008","26.5248","0.0007","21.3634","0.0005","90","","93.228","0.003","90","","11377.6","0.6","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H82 B10 N2 -","- C86 H82 B10 N2 -","- C344 H328 B40 N8 -","4","0.5","","Wang, Zhaojin; Jiang, Peng; Wang, Tianyu; Moxey, Graeme J.; Cifuentes, Marie P.; Zhang, Chi; Humphrey, Mark G.","Blue-shifted emission and enhanced quantum efficiency viaπ-bridge elongation in carbazole-carborane dyads.","Physical chemistry chemical physics : PCCP","2016","18","23","15719","15726","10.1039/c6cp02870e","","x-ray","1.54184","CuKα","","0.09","0.0634","","","0.1817","0.2023","","","","","","1.044","","","","has coordinates","183795","2020-10-21","18:00:00",""
"7225347","42.3668","0.0002","42.3668","0.0002","42.3668","0.0002","90","","90","","90","","76046.1","0.6","100","0.11","100","0.11","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 Ni O8 S2 -","- C46 H44 N4 Ni O8 S2 -","- C2208 H2112 N192 Ni48 O384 S96 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.54184","CuKα","","0.1033","0.0869","","","0.2801","0.3084","","","","","","1.051","","","","has coordinates","185269","2020-10-21","18:00:00",""
"7225348","42.559","0.0002","42.559","0.0002","42.559","0.0002","90","","90","","90","","77085.8","0.6","100","0.1","100","0.1","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 O9 S2 Zn -","- C46 H44 N4 O9 S2 Zn -","- C2208 H2112 N192 O432 S96 Zn48 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.5418","CuKα","","0.1027","0.0716","","","0.2056","0.2479","","","","","","1.039","","","","has coordinates,has disorder","185269","2020-10-21","18:00:00",""
"7225358","7.768","0.0016","9.1578","0.0018","10.466","0.002","90.77","0.03","98.75","0.03","95.52","0.03","732.2","0.3","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H13 Cl2 Cu N3 O S -","- C13 H13 Cl2 Cu N3 O S -","- C26 H26 Cl4 Cu2 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.1007","0.0864","","","0.2365","0.2519","","","","","","1.036","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225359","12.6428","0.0003","9.0531","0.0002","15.2733","0.0004","90","","99.138","0.01","90","","1725.94","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C56 H52 Cu2 F12 N12 O16 S8 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0594","0.0391","","","0.0981","0.1084","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225360","6.6282","0.0003","10.3741","0.0005","11.1178","0.0005","96.7","0.01","92.305","0.01","99.927","0.01","746.47","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 B F4 N3 O S -","- C13 H14 B F4 N3 O S -","- C26 H28 B2 F8 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0854","0.0479","","","0.1152","0.1324","","","","","","1.099","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225361","8.2365","0.0003","9.636","0.0003","11.5943","0.0004","110.59","0.02","97","0.02","103.85","0.02","814.6","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0804","0.0641","","","0.1579","0.1662","","","","","","0.874","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225362","8.9556","0.0003","21.6859","0.0009","7.1433","0.0004","90","","98.9","0.01","90","","1370.6","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N8 O8 S2 -","- C26 H26 Cu N8 O8 S2 -","- C52 H52 Cu2 N16 O16 S4 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0691","0.0405","","","0.0938","0.1069","","","","","","1.063","","","","has coordinates,has disorder","301865","2025-08-22","16:16:54",""
"7225363","7.8394","0.0016","8.192","0.0016","12.372","0.003","104.4","0.03","92.42","0.03","116.28","0.03","679.3","0.4","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.0337","0.0268","","","0.0598","0.0627","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225364","4.2277","0.0002","11.0881","0.0008","14.3608","0.0012","90","","95.224","0.005","90","","670.4","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H I S3 -","- C3 H I S3 -","- C12 H4 I4 S12 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.1504","0.0814","","","0.235","0.3345","","","","","","1.401","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225365","4.2308","0.0008","28.57","0.006","15.756","0.003","90","","95.7","0.03","90","","1895.1","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C7 I4.67 S7 -","- C6.9999 I4.6667 S6.9999 -","- C27.9996 I18.6668 S27.9996 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0629","0.0354","","","0.0687","0.079","","","","","","1.102","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225366","7.9979","0.0003","8.1038","0.0003","14.8354","0.0005","90","","96.761","0.001","90","","954.85","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","3-ethyl-4,5-diiodothiazole-2(3H)-thione","","- C5 H5 I2 N S2 -","- C5 H5 I2 N S2 -","- C20 H20 I8 N4 S8 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0332","0.0309","","","0.0753","0.0767","","","","","","1.104","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225367","6.9028","0.0013","15.231","0.003","8.4906","0.0016","90","","108.101","0.006","90","","848.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","3-ethyl-5-iodothiazole-2-thione","","- C5 H6 I N S2 -","- C5 H6 I N S2 -","- C20 H24 I4 N4 S8 -","4","2","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0715","0.072","","","","","","1.143","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225368","12.8328","0.0012","16.1439","0.0015","16.2738","0.0015","84.645","0.002","79.837","0.002","69.372","0.002","3104","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 N3 Ni3 O22.5 -","- C56 H34 Ni3 O22.5 -","- C112 H68 Ni6 O45 -","2","1","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71073","MoKα","","0.0806","0.0519","","","0.1228","0.1347","","","","","","0.997","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225369","13.8441","0.0006","17.6855","0.0007","21.1859","0.0008","90","","91.435","0.004","90","","5185.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Co3 O25 -","- C56 H42 Co3 O25 -","- C224 H168 Co12 O100 -","4","0.5","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71","MoKα","","0.1039","0.0566","","","0.105","0.1245","","","","","","1.017","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225370","19.0949","0.0019","9.2904","0.0009","17.9875","0.0019","90","","110.543","0.005","90","","2988.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0984","0.0629","","","0.176","0.2424","","","","","","1.632","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225371","17.9195","0.0015","9.1323","0.0008","18.7653","0.0015","90","","90","","90","","3070.9","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0297","0.027","","","0.0635","0.0651","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225372","14.204","0.003","8.573","0.002","8.3934","0.0019","90","","91.851","0.013","90","","1021.5","0.4","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,4-Diaminobenzene+lawsone","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C52 H40 N4 O12 -","2","0.25","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.1261","0.0982","","","0.2413","0.2574","","","","","","1.134","","","","has coordinates,has disorder","185273","2020-10-21","18:00:00",""
"7225373","9.1366","0.0007","6.2639","0.0006","20.6631","0.0016","90","","94.489","0.005","90","","1178.94","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Diaminobenzene+sebacic acid","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0796","0.0722","","","0.1854","0.1891","","","","","","1.213","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225374","3.9902","0.0002","17.052","0.0009","23.5518","0.0012","90","","90","","90","","1602.49","0.14","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diaminobenzene+trimesic acid+methanol","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","1","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0334","0.0298","","","0.0716","0.0742","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225375","7.3698","0.0003","21.6379","0.0012","14.5584","0.0007","90","","102.509","0.004","90","","2266.47","0.19","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C88 H56 Cl8 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0374","0.0272","","","0.0583","0.0614","","","","","","1.034","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225376","7.4264","0.0004","21.7744","0.0014","14.5258","0.0008","90","","102.97","0.005","90","","2289","0.2","295","2","295","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C88 H56 Br4 Cl4 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0713","0.0545","","","0.1342","0.1448","","","","","","1.039","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225377","16.2788","0.0013","7.0245","0.0007","21.716","0.002","90","","98.966","0.007","90","","2452.9","0.4","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C96 H60 Cl4 F12 N12 O12 Pt4 S8 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0403","0.0288","","","0.0631","0.0673","","","","","","1.041","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225378","10.325","0.008","11.063","0.003","6.087","0.001","90","","90","","90","","695.3","0.6","295","2","295","2","360000","","360000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.126","0.1066","","","0.3214","0.3494","","","","","","1.175","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225379","10.21","0.007","11.039","0.003","6.0415","0.0009","90","","90","","90","","680.9","0.5","295","2","295","2","450000","","450000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.1147","0.0997","","","0.3005","0.3193","","","","","","1.095","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225380","9.5458","0.0006","11.3671","0.0006","6.4745","0.0004","90","","111.126","0.007","90","","655.32","0.07","85","0.5","85","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0295","0.0275","","","0.0729","0.0739","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225381","9.742","0.0009","11.5821","0.0008","6.5192","0.0006","90","","111.347","0.01","90","","685.11","0.11","230","0.1","230","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0441","0.0393","","","0.1079","0.1114","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225382","9.519","0.0017","11.3199","0.0004","6.393","0.003","90","","111.78","0.03","90","","639.7","0.3","295","2","295","2","760000","","760000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0501","0.0409","","","0.1115","0.1152","","","","","","1.163","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225383","9.4194","0.0009","11.22","0.0003","6.379","0.004","90","","111.75","0.03","90","","626.2","0.4","295","2","295","2","1000000","","1000000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0305","0.0282","","","0.0732","0.0745","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225384","4.7832","0.0005","12.0775","0.0004","16.3371","0.0005","90","","92.226","0.003","90","","943.07","0.11","290","","290","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine monohydrate","2-Methyl-4-quinolinamine","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Braun, Doris E.; Oberacher, Herbert; Arnhard, Kathrin; Orlova, Maria; Griesser, Ulrich J.","4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form","CrystEngComm","2016","18","22","4053","","10.1039/C5CE01758K","powder diffraction","","1.54056","CuKα","","","","","","","","","7.0966","3.71","","","","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225385","10.2536","0.0002","19.8774","0.0004","14.8763","0.0007","90","","90","","90","","3032.01","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C120 H136 Cu4 N16 O32 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0643","0.0454","","","0.1215","0.132","","","","","","1.051","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225386","9.4","0.0002","19.5102","0.0003","14.7022","0.0002","90","","90","","90","","2696.32","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O12 -","- C21 H16 Cu N4 O12 -","- C84 H64 Cu4 N16 O48 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0427","0.0354","","","0.0954","0.0996","","","","","","1.11","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225387","14.6652","0.0004","8.6882","0.0003","26.0272","0.0008","90","","90","","90","","3316.23","0.18","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1105","0.0723","","","0.1949","0.2471","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225388","14.6606","0.0018","8.689","0.0012","25.95","0.004","90","","90","","90","","3305.7","0.8","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1301","0.0648","","","0.1692","0.217","","","","","","0.912","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225397","10.2257","0.0002","12.3002","0.0002","19.2829","0.0003","77.153","0.001","77.761","0.001","72.052","0.001","2222.51","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Ag3 Co N10 O11 -","- C42 H37 Ag3 Co N10 O11 -","- C84 H74 Ag6 Co2 N20 O22 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0877","0.0557","","","0.1432","0.1662","","","","","","1.044","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225398","11.527","0.004","11.527","0.004","19.263","0.014","90","","90","","90","","2560","2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H17 Co0.25 N2.25 O -","- C14 H17 Co0.25 N2.25 O -","- C112 H136 Co2 N18 O8 -","8","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0683","0.0524","","","0.1433","0.1604","","","","","","1.028","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225399","11.595","0.005","13.528","0.005","13.555","0.005","88.726","0.005","83.438","0.005","77.73","0.005","2064","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Ag Co N9 O9 -","- C42 H45 Ag Co N9 O9 -","- C84 H90 Ag2 Co2 N18 O18 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.1047","0.0808","","","0.2241","0.244","","","","","","1.092","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225400","12.288","0.003","16.136","0.004","18.416","0.005","90","","98.103","0.01","90","","3615.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Ag Co N8 O5 -","- C40 H34 Ag Co N8 O5 -","- C160 H136 Ag4 Co4 N32 O20 -","4","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0616","0.0375","","","0.0874","0.1007","","","","","","1.03","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225401","10.6927","0.0002","7.81215","0.00015","10.6458","0.0002","90","","95.5149","0.0018","90","","885.16","0.03","110.05","0.1","110.05","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Bai, Yinjuan; De bruyn, Mario; Clark, James H.; Dodson, Jennifer R.; Farmer, Thomas J.; Honoré, Mathilde; Ingram, Ian D. V.; Naguib, Mohamed; Whitwood, Adrian C.; North, Michael","Ring opening metathesis polymerisation of a new bio-derived monomer from itaconic anhydride and furfuryl alcohol","Green Chem.","2016","18","14","3945","","10.1039/C6GC00623J","","x-ray","1.54184","CuKα","","0.0354","0.0328","","","0.0809","0.0832","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225405","13.2688","0.0018","17.186","0.002","14.3147","0.0019","90","","103.795","0.002","90","","3170.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Ag4 B4 F16 O8 S4 -","- C54 H68 Ag4 B4 F16 O8 S4 -","- C108 H136 Ag8 B8 F32 O16 S8 -","2","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0463","0.0371","","","0.0991","0.1055","","","","","","1.014","","","","has coordinates","185266","2020-10-21","18:00:00",""
"7225406","19.608","0.002","11.9909","0.0013","22.223","0.002","90","","90","","90","","5225","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H52 Ag2 Cl2 O12 S4 -","- C50 H52 Ag2 Cl2 O12 S4 -","- C200 H208 Ag8 Cl8 O48 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0726","0.0517","","","0.123","0.136","","","","","","1.068","","","","has coordinates,has disorder","185266","2020-10-21","18:00:00",""
"7225407","15.4","0.002","17.15","0.003","35.343","0.006","90","","93.279","0.002","90","","9319","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 La2 N76 O94 -","- C120 H126 La2 N76 O94 -","- C240 H252 La4 N152 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1514","0.0911","","","0.247","0.2966","","","","","","1.026","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225408","12.3756","0.0018","32.47","0.005","15.176","0.002","90","","92.089","0.005","90","","6094.2","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 La N27 O32.5 -","- C40 H44 La N27 O32.5 -","- C160 H176 La4 N108 O130 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1034","0.0558","","","0.1325","0.1575","","","","","","1.029","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225409","22.4385","0.0018","12.4556","0.001","14.7421","0.0013","90","","114.782","0.002","90","","3740.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Dy N24 O20 -","- C40 H44 Cl3 Dy N24 O20 -","- C80 H88 Cl6 Dy2 N48 O40 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0426","0.0421","","","0.1233","0.1237","","","","","","1.141","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225410","22.434","0.005","12.421","0.003","14.859","0.003","90","","115.105","0.007","90","","3749.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Ho N24 O22 -","- C40 H44 Cl3 Ho N24 O22 -","- C80 H88 Cl6 Ho2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0457","0.0455","","","0.1306","0.131","","","","","","1.125","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225411","22.429","0.003","12.4151","0.0015","14.8727","0.0018","90","","115.035","0.004","90","","3752.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Er N24 O26 -","- C40 H40 Cl3 Er N24 O26 -","- C80 H80 Cl6 Er2 N48 O52 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0733","0.0729","","","0.219","0.2199","","","","","","1.228","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225412","22.438","0.003","12.3991","0.0018","14.869","0.002","90","","115.027","0.002","90","","3748.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tm -","- C40 H48 Cl3 N24 O20 Tm -","- C80 H96 Cl6 N48 O40 Tm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0737","0.0732","","","0.2265","0.2275","","","","","","1.23","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225413","22.429","0.01","12.394","0.006","14.895","0.007","90","","115.018","0.004","90","","3752","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Yb -","- C40 H48 Cl3 N24 O20 Yb -","- C80 H96 Cl6 N48 O40 Yb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0725","","","0.2252","0.2262","","","","","","1.248","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225414","22.372","0.005","12.33","0.003","14.778","0.003","90","","114.881","0.007","90","","3698.1","1.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Lu N24 O22 -","- C40 H48 Cl3 Lu N24 O22 -","- C80 H96 Cl6 Lu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0762","0.0742","","","0.2233","0.2261","","","","","","1.194","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225415","15.375","0.004","17.143","0.004","35.259","0.009","90","","93.376","0.003","90","","9277","4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2'","","","- C120 H132 Ce2 N76 O64 -","- C120 H132 Ce2 N76 O64 -","- C240 H264 Ce4 N152 O128 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0939","0.057","","","0.1329","0.1473","","","","","","0.929","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225416","12.322","0.002","32.346","0.006","15.145","0.003","90","","92.505","0.002","90","","6030.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Ce N27 O33 -","- C40 H44 Ce N27 O33 -","- C160 H176 Ce4 N108 O132 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0754","0.0489","","","0.1241","0.1398","","","","","","1.028","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225417","25.508","0.017","10.756","0.007","14.224","0.009","90","","90","","90","","3903","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl3 N25 O21 Pr2 -","- C40 H44 Cl3 N25 O21 Pr2 -","- C80 H88 Cl6 N50 O42 Pr4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1043","0.0581","","","0.1643","0.2063","","","","","","0.949","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225418","15.507","0.008","17.145","0.009","35.161","0.019","90","","93.37","0.008","90","","9332","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H132 N76 O56 Pr2 -","- C120 H132 N76 O56 Pr2 -","- C240 H264 N152 O112 Pr4 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0966","0.0505","","","0.1202","0.1394","","","","","","0.978","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225419","22.63","0.02","12.723","0.014","14.913","0.016","90","","116.085","0.01","90","","3856","7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O34 Pr -","- C40 H44 N24 O34 Pr -","- C80 H88 N48 O68 Pr2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0707","","","0.2198","0.2239","","","","","","1.153","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225420","25.819","0.015","10.779","0.006","14.304","0.008","90","","90","","90","","3981","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H46 Cl2 N26 Nd2 O30 -","- C40 H46 Cl2 N26 Nd2 O30.008 -","- C80 H92 Cl4 N52 Nd4 O60.016 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1303","0.0894","","","0.281","0.3194","","","","","","1.071","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225421","15.408","0.0017","17.0805","0.0019","35.289","0.004","90","","92.852","0.001","90","","9275.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 N78 Nd2 O94 -","- C120 H126 N78 Nd2 O94 -","- C240 H252 N156 Nd4 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.093","0.0728","","","0.2276","0.2487","","","","","","1.047","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225422","22.295","0.013","12.542","0.007","14.812","0.008","90","","116.125","0.006","90","","3719","4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl0 N24 Nd O22 -","- C40 H44 N24 Nd O22 -","- C80 H88 N48 Nd2 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0347","0.0335","","","0.0972","0.0982","","","","","","1.108","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225423","25.712","0.009","10.726","0.004","14.392","0.005","90","","90","","90","","3969","2","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl2 N26 O29 Sm2 -","- C40 H44 Cl2 N26 O29 Sm2 -","- C80 H88 Cl4 N52 O58 Sm4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0841","0.0665","","","0.2009","0.2159","","","","","","1.056","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225424","22.308","0.01","12.54","0.006","14.747","0.007","90","","115.685","0.004","90","","3718","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O20 Sm -","- C40 H46 N24 O20 Sm -","- C80 H92 N48 O40 Sm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0377","0.0354","","","0.0993","0.1017","","","","","","1.121","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225425","22.329","0.01","12.544","0.006","14.897","0.007","90","","116.15","0.005","90","","3745","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Eu N24 O22 -","- C40 H44 Eu N24 O22 -","- C80 H88 Eu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0641","0.0593","","","0.1666","0.1703","","","","","","1.088","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225426","22.397","0.003","12.4587","0.0016","14.729","0.002","90","","115.102","0.004","90","","3721.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Gd N24 O21 -","- C40 H48 Cl3 Gd N24 O21 -","- C80 H96 Cl6 Gd2 N48 O42 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0766","0.0736","","","0.224","0.228","","","","","","1.117","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225427","22.443","0.005","12.472","0.002","14.88","0.003","90","","115.094","0.007","90","","3771.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tb -","- C40 H48 Cl3.0002 N24 O20 Tb -","- C80 H96 Cl6.0004 N48 O40 Tb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0547","0.0541","","","0.1665","0.1671","","","","","","1.163","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225442","6.104","0.0005","8.9243","0.0008","12.0304","0.0014","90","","99.516","0.008","90","","646.33","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","","Zakharov, B. A.; Goryainov, S. V.; Boldyreva, E. V.","Unusual seeding effect in the liquid-assisted high-pressure polymorphism of chlorpropamide","CrystEngComm","2016","18","29","5423","","10.1039/C6CE00711B","","","0.81984","x-rays","","0.1033","0.0665","","","0.1878","0.2044","","","","","","1.178","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225443","11.6939","0.0008","15.2594","0.0014","15.931","0.0013","90","","90","","90","","2842.8","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H28 N4 Ni O4 P2 S5 -","- C20 H28 N4 Ni O4 P2 S5 -","- C80 H112 N16 Ni4 O16 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0438","0.0331","","","0.0817","0.0903","","","","","","0.86","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225444","11.728","0.002","14.435","0.003","18.657","0.004","104.4","0.03","103.02","0.03","101.92","0.03","2862.9","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh1465/ssg1554/208","","- C40 H56 N8 Ni2 O8 P4 S10 -","- C40 H56 N8 Ni2 O8 P4 S10 -","- C80 H112 N16 Ni4 O16 P8 S20 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.6893","synchrotron","","0.1277","0.0969","","","0.2445","0.2663","","","","","","1.137","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225445","6.8385","0.0002","12.0415","0.0003","22.6405","0.0004","101.922","0.002","97.35","0.002","93.086","0.002","1802.95","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 N4 Ni P2 S5 -","- C36 H28 N4 Ni P2 S5 -","- C72 H56 N8 Ni2 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0684","0.0407","","","0.1033","0.114","","","","","","0.964","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225446","12.8213","0.0003","7.2342","0.0002","19.1246","0.0003","90","","106.186","0.001","90","","1703.53","0.07","120","2","120","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","2007slh0908/189","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N3.984 Ni O4 P2 S5.016 -","- C56 H56 N7.968 Ni2 O8 P4 S10.032 -","2","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0459","0.0372","","","0.0741","0.0778","","","","","","1.04","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225447","16.542","0.003","7.489","0.002","20.642","0.006","90","","94.29","0.02","90","","2550","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0868","0.0492","","","0.1031","0.1164","","","","","","1.051","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225448","9.7075","0.0002","10.6736","0.0002","17.4582","0.0003","73.23","0.001","87.086","0.001","72.131","0.001","1647.02","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh0906/187","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N4 Ni O4 P2 S5 -","- C56 H56 N8 Ni2 O8 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0474","0.0361","","","0.0798","0.085","","","","","","1.038","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225449","26.52841","0.00017","25.85346","0.00016","7.00906","0.00005","90","","90","","90","","4807.17","0.05","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C50 H44 N4 Ni P2 S5 -","- C50.014 H44.016 N4 Ni P2 S5 -","- C200.056 H176.064 N16 Ni4 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","1.54184","CuKα","","0.0886","0.0861","","","0.2236","0.2246","","","","","","1.211","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225450","14.0311","0.0013","14.9236","0.0013","12.846","0.0005","90","","113.786","0.005","90","","2461.4","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0739","0.0641","","","0.1917","0.1964","","","","","","1.161","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225451","8.3025","0.0003","13.6899","0.0006","15.9951","0.0007","90.908","0.003","99.985","0.003","104.369","0.003","1731.16","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H51 N5 O4 -","- C32 H51 N5 O4 -","- C64 H102 N10 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1527","0.0839","","","0.1765","0.2225","","","","","","1.098","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225452","20.7631","0.0008","8.2356","0.0003","21.9337","0.0008","90","","107.378","0.002","90","","3579.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 F N5 O4 -","- C32 H52 F N5 O4 -","- C128 H208 F4 N20 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1286","0.0707","","","0.1388","0.1613","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225453","19.3315","0.0009","8.5518","0.0004","22.8978","0.001","90","","95.077","0.003","90","","3770.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Cl N5 O5 -","- C32 H54 Cl N5 O5 -","- C128 H216 Cl4 N20 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.2428","0.0688","","","0.1234","0.1632","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225454","9.7527","0.001","13.1156","0.0014","13.1419","0.0014","96.951","0.001","107.563","0.001","98.293","0.001","1561.6","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C48 H48 Cl6 Cu6 Dy2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0387","0.0336","","","0.0804","0.0835","","","","","","1.047","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225455","9.7558","0.0013","13.1043","0.0017","13.1554","0.0017","97.247","0.002","98.245","0.002","107.215","0.002","1564.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Eu N3 O9 -","- C24 H22 Cl3 Cu3 Eu N3 O9 -","- C48 H44 Cl6 Cu6 Eu2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.049","","","0.1195","0.1285","","","","","","1.04","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225456","9.75","0.002","13.103","0.003","13.133","0.003","97.405","0.003","98.215","0.003","107.29","0.003","1559.3","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Gd N3 O9 -","- C24 H22 Cl3 Cu3 Gd N3 O9 -","- C48 H44 Cl6 Cu6 Gd2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0683","0.0561","","","0.1447","0.1547","","","","","","1.084","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225457","9.7468","0.0013","13.1256","0.0017","13.1381","0.0017","97.029","0.002","98.26","0.002","107.433","0.002","1562.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 N3 O9 Tb -","- C24 H22 Cl3 Cu3 N3 O9 Tb -","- C48 H44 Cl6 Cu6 N6 O18 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0512","0.0453","","","0.1154","0.12","","","","","","1.067","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225458","22.007","0.003","9.3047","0.0012","29.38","0.005","90","","110.486","0.001","90","","5635.6","1.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C192 H184 Cu8 Dy8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.041","0.0321","","","0.0792","0.0836","","","","","","1.036","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225459","21.998","0.002","9.2967","0.0009","29.381","0.004","90","","110.425","0.001","90","","5630.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Gd2 I2 N6 O17 -","- C48 H44 Cu2 Gd2 I2 N6 O17 -","- C192 H176 Cu8 Gd8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.033","0.0273","","","0.0639","0.0669","","","","","","1.015","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225460","22.069","0.004","9.2855","0.0015","29.444","0.005","90","","110.419","0.002","90","","5654.6","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C192 H184 Cu8 I8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0462","0.0316","","","0.0591","0.0639","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225461","21.9956","0.0015","9.2876","0.0006","29.387","0.003","90","","110.514","0.001","90","","5622.7","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C192 H184 Cu8 I8 N24 O68 Tb8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.053","0.0331","","","0.0586","0.0653","","","","","","0.994","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225462","22.078","0.002","9.3534","0.0009","28.855","0.004","90","","109.788","0.001","90","","5606.8","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu Eu N3 O9 -","- C24 H22 Br Cu Eu N3 O9 -","- C192 H176 Br8 Cu8 Eu8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0756","0.0476","","","0.1004","0.1144","","","","","","1.032","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225463","22.315","0.004","9.4268","0.0017","29.048","0.005","90","","110.025","0.002","90","","5741.1","1.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu La N3 O9 -","- C24 H22 Br Cu La N3 O9 -","- C192 H176 Br8 Cu8 La8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0854","0.0483","","","0.0999","0.1165","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225464","22.175","0.004","9.3814","0.0017","28.994","0.005","90","","110.156","0.002","90","","5662.3","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 Nd2 O17 -","- C48 H44 Br2 Cu2 N6 Nd2 O17 -","- C192 H176 Br8 Cu8 N24 Nd8 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0618","0.0409","","","0.0929","0.1025","","","","","","1.028","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225465","22.121","0.003","9.3741","0.0009","28.944","0.003","90","","110.003","0.002","90","","5639.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 O17 Sm2 -","- C48 H44 Br2 Cu2 N6 O17 Sm2 -","- C192 H176 Br8 Cu8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0421","0.0328","","","0.0748","0.0789","","","","","","1.033","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225466","8.1814","0.0011","8.2858","0.0011","18.974","0.003","86.452","0.003","84.078","0.002","79.676","0.002","1257.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Eu I2 N2 O10 -","- C17 H20 Cu2 Eu I2 N2 O10 -","- C34 H40 Cu4 Eu2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.0451","","","0.1008","0.1207","","","","","","1.069","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225467","8.161","0.003","8.25","0.003","18.961","0.006","86.444","0.007","83.969","0.006","79.622","0.006","1247.6","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Gd I2 N2 O10 -","- C17 H20 Cu2 Gd I2 N2 O10 -","- C34 H40 Cu4 Gd2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0958","0.0661","","","0.1541","0.1739","","","","","","0.954","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225468","8.2377","0.0017","8.366","0.0017","18.956","0.004","86.42","0.004","84.477","0.004","79.549","0.003","1277.4","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 I2 N2 Nd O10 -","- C17 H20 Cu2 I2 N2 Nd O10 -","- C34 H40 Cu4 I4 N4 Nd2 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0847","0.0621","","","0.1353","0.1451","","","","","","0.914","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225469","7.439","0.0017","7.797","0.002","21.617","0.005","86.532","0.004","87.711","0.004","65.178","0.004","1135.8","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C34 H32 Br4 Cu4 Gd2 N4 O16 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.1085","0.0667","","","0.1423","0.1738","","","","","","1.003","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225470","7.4069","0.0015","7.7788","0.0015","21.614","0.004","86.456","0.003","87.677","0.004","65.171","0.003","1127.9","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 N2 O8 Tb -","- C17 H14 Br2 Cu2 N2 O8 Tb -","- C34 H28 Br4 Cu4 N4 O16 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0939","0.0585","","","0.12","0.1387","","","","","","0.946","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225471","12.9013","0.0006","7.3232","0.0003","15.7261","0.0007","90","","113.248","0.005","90","","1365.14","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5a","3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.054","0.0456","","","0.1215","0.131","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225472","14.0621","0.0005","6.4884","0.0003","17.373","0.0007","90","","111.527","0.004","90","","1474.55","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5b","6-methoxy-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0479","0.0382","","","0.0987","0.1076","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225473","5.17677","0.00017","9.5698","0.0003","30.6216","0.0009","90","","92.127","0.003","90","","1515.97","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5c","7-methoxy-3-(4-phenyl-1,2,3-triazol-1-yl)-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0689","0.0456","","","0.1057","0.1224","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225474","11.7803","0.0004","19.8443","0.0006","7.6437","0.0002","90","","98.403","0.003","90","","1767.7","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5f","7-(diethylamino)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0612","0.0467","","","0.1259","0.141","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225475","5.8032","0.0003","7.5652","0.0004","15.7517","0.0007","79.805","0.004","89.756","0.004","84.314","0.004","677.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5h","3-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H10 F N3 O2 -","- C17 H10 F N3 O2 -","- C34 H20 F2 N6 O4 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0591","0.0501","","","0.1349","0.1492","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225476","5.8823","0.0004","7.5418","0.0004","18.0542","0.0008","78.784","0.004","83.537","0.004","83.826","0.005","777.63","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5j","3-(4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl)-6-methoxy-2H-chromen-2-one","","- C18 H12 Cl N3 O3 -","- C18 H12 Cl N3 O3 -","- C36 H24 Cl2 N6 O6 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.048","0.0401","","","0.1097","0.1187","","","","","","1.0481","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225477","7.2786","0.0003","5.9228","0.0003","36.7067","0.0016","90","","90.466","0.005","90","","1582.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5k","7-methoxy-3-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0566","0.0424","","","0.1079","0.1178","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225478","7.3822","0.0002","7.6039","0.0003","23.245","0.0008","90","","90","","90","","1304.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5l","3-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0653","0.05","","","0.1256","0.1371","","","","","","1.079","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225479","33.02","0.05","13.317","0.019","14.22","0.02","90","","101.739","0.015","90","","6122","15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Eu O8 -","- C21 H15 Eu O8 -","- C168 H120 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0886","0.0651","","","0.1721","0.1891","","","","","","1.019","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225480","33.13","0.02","13.572","0.008","14.049","0.009","90","","101.324","0.007","90","","6194","7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 O8 Tb -","- C21 H15 O8 Tb -","- C168 H120 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0496","0.0375","","","0.0807","0.0832","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225481","33.69","0.03","12.97","0.011","14.771","0.012","90","","101.572","0.009","90","","6323","9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 La O8 -","- C21 H15 La O8 -","- C168 H120 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0543","0.0406","","","0.0918","0.096","","","","","","1.03","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225482","42.142","0.015","14.065","0.005","13.87","0.005","90","","101.996","0.005","90","","8042","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 Eu O8 -","- C27 H19 Eu O8 -","- C216 H152 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.1276","0.1014","","","0.2569","0.2824","","","","","","0.994","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225483","42.145","0.007","14.296","0.003","13.771","0.002","90","","101.683","0.002","90","","8125","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 O8 Tb -","- C27 H19 O8 Tb -","- C216 H152 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0633","0.0461","","","0.1238","0.1277","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225484","13.9999","0.001","14.647","0.0011","42.04","0.003","90","","97.948","0.001","90","","8537.8","1.1","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H19 La O8 -","- C27 H19 La O8 -","- C216 H152 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0748","0.0521","","","0.1314","0.1363","","","","","","1.076","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225485","24.799","0.018","13.263","0.01","14.971","0.011","90","","96.635","0.008","90","","4891","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 La O8 -","- C15 H11 La O8 -","- C120 H88 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.057","0.0448","","","0.1228","0.1331","","","","","","1.132","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225486","29.012","0.001","7.058","0.002","32.683","0.001","90","","105.991","0.003","90","","6433.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H90 N6 O18 -","- C66 H90 N6 O18 -","- C264 H360 N24 O72 -","4","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.0772","0.076","","","0.2002","0.2008","","","","","","1.191","","","","has coordinates","185203","2020-10-21","18:00:00",""
"7225487","11.91","0.01","14.88","0.01","16.83","0.01","70.96","0.02","87.15","0.01","71.42","0.02","2668","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C57.5 H64 O15 -","- C57.5 H64 O15 -","- C115 H128 O30 -","2","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.1089","0.1056","","","0.268","0.2738","","","","","","1.096","","","","has coordinates,has disorder","185203","2020-10-21","18:00:00",""
"7225488","5.3288","0.0004","18.3034","0.0013","10.3561","0.0008","90","","94.819","0.007","90","","1006.51","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N5 O3 -","- C9 H7 N5 O3 -","- C36 H28 N20 O12 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1234","0.0696","","","0.1405","0.167","","","","","","0.999","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225489","5.8474","0.0012","21.04","0.004","7.5567","0.0018","90","","107.25","0.02","90","","887.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1607","0.0848","","","0.1722","0.1998","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225490","19.9241","0.0013","19.9241","0.0013","5.1153","0.0005","90","","90","","90","","2030.6","0.3","298","2","298","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1008","0.0662","","","0.1117","0.1221","","","","","","1.115","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225491","3.7737","0.0014","14.259","0.005","8.993","0.003","90","","101.23","0.04","90","","474.6","0.3","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H7 Cl N4 O -","- C9 H7 Cl N4 O -","- C18 H14 Cl2 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0831","0.0727","","","0.1938","0.2008","","","","","","1.144","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225492","13.4933","0.0016","10.4263","0.0013","7.2548","0.0013","90","","93.731","0.013","90","","1018.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N4 O -","- C9 H7 Br N4 O -","- C36 H28 Br4 N16 O4 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0704","0.0561","","","0.1464","0.1573","","","","","","1.091","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225493","11.7895","0.0005","11.7895","0.0005","17.6053","0.0008","90","","90","","120","","2119.17","0.16","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C81 H72 N36 O18 -","9","3","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0669","0.0455","","","0.101","0.1121","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225494","8.7625","0.0006","5.8854","0.0004","11.0081","0.0012","90","","91.833","0.007","90","","567.41","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0618","0.052","","","0.1436","0.1587","","","","","","1.082","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225495","13.2486","0.0015","7.0891","0.0009","13.5496","0.0018","90","","114.155","0.004","90","","1161.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Shi, Qing; Li, Pinhua; Zhu, Xianjin; Wang, Lei","Decarboxylative/decarbonylative C3-acylation of indoles via photocatalysis: a simple and efficient route to 3-acylindoles","Green Chem.","2016","18","18","4916","","10.1039/C6GC00516K","","","0.71073","MoKα","","0.0744","0.0567","","","0.1437","0.1532","","","","","","1.101","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225535","20.75","0.0015","7.916","0.0007","9.058","0.0005","90","","90","","90","","1487.84","0.19","330","1","330","2","","","","","","","Sigma","5","P n a 21","P 2c -2n","33","Tolbutamide form I^H^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.1044","0.0572","","","0.1439","0.1855","","","","","","1.05","","","","has coordinates,has disorder","301865","2025-08-22","16:16:54",""
"7225536","20.2133","0.0006","7.8233","0.0002","9.0717","0.0002","90","","90","","90","","1434.55","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0424","0.0399","","","0.113","0.1148","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225537","19.7525","0.0003","7.7998","0.0001","9.0583","0.0001","90","","90","","90","","1395.57","0.03","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0277","0.0266","","","0.0714","0.0717","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225538","19.4331","0.0003","7.801","0.0001","9.0277","0.0001","90","","90","","90","","1368.58","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0306","0.0277","","","0.0715","0.0724","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225539","9.0256","0.0002","17.1443","0.0005","17.7904","0.0005","90","","94.268","0.003","90","","2745.21","0.13","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Tolbutamide form II","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","4","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0948","0.0632","","","0.0984","0.1086","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225540","8.7461","0.0007","10.5696","0.0008","11.8018","0.0009","95.426","0.003","105.576","0.003","95.516","0.003","1037.78","0.14","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","1","0.5","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0285","0.0271","","","0.0782","0.0793","","","","","","1.114","","","","has coordinates,has disorder","185177","2020-10-21","18:00:00",""
"7225541","10.529","0.0004","11.3431","0.0004","18.5469","0.0008","90","","101.742","0.002","90","","2168.73","0.15","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cd N8 O8 -","- C17 H18 Cd N8 O8 -","- C68 H72 Cd4 N32 O32 -","4","1","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0409","0.0336","","","0.0755","0.0788","","","","","","1.068","","","","has coordinates","185177","2020-10-21","18:00:00",""
"7225542","9.216","0.0003","26.743","0.001","13.932","0.0005","90","","96.91","0.001","90","","3408.8","0.2","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C32 H48 Co N7 O6 -","- C128 H192 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1208","0.0854","","","0.1948","0.2107","","","","","","1.069","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225543","9.168","0.0006","26.964","0.002","14.024","0.0011","90","","97.328","0.002","90","","3438.5","0.4","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C31.3 H44 Co N7 O5.3 -","- C125.2 H176 Co4 N28 O21.2 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.153","0.0839","","","0.16","0.1922","","","","","","1.062","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225544","8.88","0.0005","12.2","0.0008","16.687","0.0011","109.096","0.002","95.643","0.002","103.792","0.002","1628.16","0.18","173","2","173","2","","","101.3","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1029","0.0569","","","0.1153","0.1328","","","","","","1.023","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225545","8.9","0.0008","12.216","0.0012","16.818","0.0015","109.239","0.003","94.666","0.003","104.585","0.003","1643.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1865","0.0773","","","0.1688","0.2183","","","","","","1.055","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225546","17.211","0.0005","7.562","0.0002","21.477","0.0005","90","","107.555","0.001","90","","2665.04","0.12","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24 H30 Co N7 O6 -","- C96 H120 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.045","0.0376","","","0.0987","0.1017","","","","","","1.086","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225547","17.083","0.0006","7.633","0.0003","21.527","0.0008","90","","108.711","0.001","90","","2658.65","0.17","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24.093 H30.124 Co N7.031 O6 -","- C96.372 H120.496 Co4 N28.124 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.059","0.0491","","","0.1228","0.1288","","","","","","1.099","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225548","7.962","0.0007","8.407","0.0006","18.899","0.0014","90","","94.566","0.002","90","","1261.02","0.17","173","2","173","2","","","101.3","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl Co N7 O5 -","- C23 H27 Cl Co N7 O5 -","- C46 H54 Cl2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1306","0.0639","","","0.1209","0.1644","","","","","","1.069","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225549","8.401","0.0005","13.093","0.0009","13.775","0.001","63.746","0.002","89.633","0.002","75.599","0.002","1306.78","0.15","173","2","173","2","","","101.3","","","","","6","P -1","-P 1","2","","","","- C23 H27 Br Co N7 O5 -","- C23 H27 Br Co N7 O5 -","- C46 H54 Br2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1276","0.0533","","","0.1151","0.1605","","","","","","1.134","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225550","10.1677","0.0005","14.6615","0.0008","17.0409","0.0009","90","","106.069","0.001","90","","2441.1","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C112 H88 F24 S8 -","4","1","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0443","0.0399","","","0.0919","0.0941","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225551","21.9703","0.0011","10.0662","0.0005","21.3","0.0011","90","","93.092","0.001","90","","4703.8","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C224 H176 F48 S16 -","8","2","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0554","0.0462","","","0.1006","0.1056","","","","","","1.116","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225552","10.7918","0.0003","13.7957","0.0005","20.5392","0.0005","83.691","0.003","87.739","0.002","86.459","0.003","3031.92","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109.6 H131.2 Br11.2 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","1.5418","CuKα","","0.0884","0.069","","","0.1624","0.1759","","","","","","1.065","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225553","9.8061","0.0005","13.1997","0.0006","13.2846","0.0006","115.493","0.002","91.131","0.002","107.138","0.002","1461.62","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Cl4 N5 Pt -","- C31 H23 Cl4 N5 Pt -","- C62 H46 Cl8 N10 Pt2 -","2","1","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0256","0.0206","","","0.0446","0.0461","","","","","","1.038","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225554","10.7179","0.0003","13.6861","0.0004","20.5784","0.0007","84.512","0.003","87.526","0.002","85.48","0.002","2993.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0648","0.0465","","","0.0945","0.1022","","","","","","1.109","","","","has coordinates,has disorder","301865","2025-08-22","16:16:54",""
"7225555","8.279","0.0004","8.3562","0.0004","19.2301","0.0009","100.217","0.002","98.258","0.002","96.502","0.002","1282.48","0.11","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 B F2 N2 -","- C33 H27 B F2 N2 -","- C66 H54 B2 F4 N4 -","2","1","","Obondi, Christopher O.; Lim, Gary N.; Karr, Paul A.; Nesterov, Vladimir N.; D'Souza, Francis","Photoinduced charge separation in wide-band capturing, multi-modular bis(donor styryl)BODIPY-fullerene systems.","Physical chemistry chemical physics : PCCP","2016","18","27","18187","18200","10.1039/c6cp03479a","","","0.71073","MoKα","","0.0979","0.0769","","","0.2091","0.2254","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225565","6.7184","0.0011","9.4772","0.0014","9.9727","0.0015","94.5","0.002","96.361","0.003","98.937","0.002","620.44","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 O7 Zn -","- C11 H5 O7 Zn -","- C22 H10 O14 Zn2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.1004","0.0688","","","0.2055","0.3005","","","","","","1.036","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225566","7.648","0.002","16.648","0.005","11.768","0.003","90","","115.798","0.013","90","","1349","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O5 Zn -","- C14 H12 N O5 Zn -","- C56 H48 N4 O20 Zn4 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0655","0.0416","","","0.1271","0.1851","","","","","","1.087","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225567","10.861","0.003","6.3914","0.0015","17.003","0.004","90","","105.828","0.004","90","","1135.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O14 Zn3 -","- C22 H12 O14 Zn3 -","- C44 H24 O28 Zn6 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0645","0.0472","","","0.2042","0.2375","","","","","","1.028","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225568","12.206","0.011","17.833","0.015","15.309","0.013","90","","111.229","0.014","90","","3106","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O15 Zn2 -","- C26 H19 N O10 Zn2 -","- C104 H76 N4 O40 Zn8 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0652","0.0527","","","0.1584","0.1698","","","","","","0.993","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225569","7.935","0.001","6.8376","0.0009","21.605","0.003","90","","105.871","0.004","90","","1127.5","0.3","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 Cd O11 -","- C22 H10 Cd O11 -","- C44 H20 Cd2 O22 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0485","0.0354","","","0.1051","0.1396","","","","","","1.07","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225570","7.5857","0.001","12.7604","0.0017","11.2862","0.0016","90","","95.635","0.002","90","","1087.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 Cd2 O11 -","- C22 H10 Cd2 O11 -","- C44 H20 Cd4 O22 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0516","0.0422","","","0.1325","0.1824","","","","","","1.048","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225571","6.881","0.001","7.7133","0.0011","9.8423","0.0014","94.799","0.002","98.494","0.002","96.112","0.002","511.09","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 O5 Pb -","- C11 H5 O5 Pb -","- C22 H10 O10 Pb2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0723","0.0543","","","0.1571","0.2409","","","","","","1.065","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225572","11.248","0.002","12.241","0.002","12.431","0.003","102.219","0.006","92.044","0.007","109.964","0.006","1561.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0595","0.0519","","","0.1488","0.158","","","","","","1.064","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225573","11.2155","0.0019","12.436","0.002","12.44","0.002","102.507","0.008","91.252","0.008","110.743","0.008","1574.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0427","0.0374","","","0.1029","0.1088","","","","","","1.046","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225574","11.3694","0.0007","12.439","0.0007","12.4649","0.0008","102.276","0.003","110.249","0.003","92.234","0.003","1603.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0674","0.056","","","0.1288","0.1395","","","","","","1.131","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225575","11.5248","0.0006","15.4562","0.0009","18.8105","0.0011","91.181","0.003","98.392","0.003","107.518","0.003","3153.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Mn3 N12 O17.5 -","- C60 H66 Mn3 N12 O17.5 -","- C120 H132 Mn6 N24 O35 -","2","1","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.1276","0.0892","","","0.2335","0.2719","","","","","","1.058","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225576","8.027","0.008","18.689","0.018","4.965","0.005","90","","90","","90","","744.8","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Li O4 P Pb -","- Li O4 P Pb -","- Li8 O32 P8 Pb8 -","8","2","","Han, Guopeng; Liu, Qiong; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie","Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO4.","Physical chemistry chemical physics : PCCP","2016","18","28","19123","19129","10.1039/c6cp02672a","","","0.71073","MoKα","","0.0412","0.0352","","","0.0811","0.0853","","","","","","1.024","","","","has coordinates","185674","2020-10-21","18:00:00",""
"7225581","12.0439","0.0008","13.194","0.0005","25.6543","0.001","102.364","0.003","93.086","0.005","90.337","0.004","3975.7","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H116 Cl3 I3 N4 O12 -","- C74 H116 Cl3 I3 N4 O12 -","- C148 H232 Cl6 I6 N8 O24 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1396","0.0909","","","0.2347","0.285","","","","","","1.029","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225582","12.2171","0.0003","13.1621","0.0003","25.6541","0.0006","77.8171","0.0019","86.247","0.002","89.7322","0.0018","4023.52","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H118.6 Br3 I3 N4 O12.8 -","- C74 H118.6 Br3 I3 N4 O12.8 -","- C148 H237.2 Br6 I6 N8 O25.6 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0946","0.0831","","","0.2289","0.2472","","","","","","1.035","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225583","15.0087","0.0004","27.3833","0.0005","16.3215","0.0004","90","","91.343","0.002","90","","6706.1","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H96 Br3 I3 N4 O10 -","- C58 H96 Br3 I3 N4 O10 -","- C232 H384 Br12 I12 N16 O40 -","4","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0994","0.0692","","","0.1935","0.2275","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225584","12.3868","0.0002","12.3868","0.0002","36.9094","0.0011","90","","90","","90","","5663.1","0.2","123","0.1","123","0.1","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C88 H128 Br7 I5 N8 O24 -","- C88 H128 Br7 I5 N8 O24 -","- C176 H256 Br14 I10 N16 O48 -","2","","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1237","0.1135","","","0.3201","0.3311","","","","","","1.17","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225592","11.756","0.003","18.059","0.005","23.342","0.006","90","","104.947","0.012","90","","4788","2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd Cl2 N4 O4 -","- C40 H32 Cd Cl2 N4 O4 -","- C160 H128 Cd4 Cl8 N16 O16 -","4","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0663","0.0531","","","0.1588","0.1692","","","","","","0.97","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225593","27.982","0.008","12.703","0.004","16.341","0.005","90","","125.27","0.006","90","","4742","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd Cl2 N2 O2 -","- C20 H16 Cd Cl2 N2 O2 -","- C160 H128 Cd8 Cl16 N16 O16 -","8","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0626","0.0466","","","0.1352","0.1426","","","","","","0.959","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225594","15.3055","0.0002","6.43674","0.00009","19.516","0.0003","87.279","0.0011","95.5964","0.0017","98.7257","0.0018","1890.31","0.05","173","2","173","2","","","","","","","see text","4","P -1","-P 1","2","sodium benzoate form II","sodium benzoate form II","","- C7 H5 Na O2 -","- C7 H5 Na O2 -","- C84 H60 Na12 O24 -","12","6","","Martin, T. W.; Gorelik, T. E.; Greim, D.; Butterhof, C.; Kolb, U.; Senker, J.; Breu, J.","Microphase separation upon crystallization of small amphiphilic molecules: ‘low’ temperature form II of sodium benzoate (E 211)","CrystEngComm","2016","18","31","5811","","10.1039/C6CE01281G","powder diffraction","","1.54175","CuKα","","","","","","","","","0.0058","2.831","","","","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7225595","4.9955","0.0001","17.1031","0.0004","13.0176","0.0003","90","","100.38","0.002","90","","1094","0.04","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(F2_23 or 11-059)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0722","0.0438","","","0.0895","0.0988","","","","","","0.991","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225596","5.2115","0.0002","6.4193","0.0003","16.1911","0.0007","90","","97.894","0.004","90","","536.53","0.04","294","2","294","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(23_F2 or 10-015)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0492","0.0394","","","0.102","0.1061","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225597","5.5268","0.0003","4.9905","0.0002","19.7058","0.0011","90","","90.665","0.005","90","","543.48","0.05","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(F2_24 or 11-051)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1116","0.0347","","","0.0428","0.0514","","","","","","0.767","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225598","5.425","0.0002","7.7256","0.0003","25.4216","0.0008","90","","92.708","0.003","90","","1064.26","0.07","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(24-F2 or 10-016)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.131","0.0477","","","0.0782","0.0941","","","","","","0.837","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225599","24.4897","0.0016","5.0316","0.0003","8.6187","0.0006","90","","90","","90","","1062.02","0.12","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","(F2_25 or 11-034)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0665","0.0591","","","0.1595","0.1675","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225600","5.185","0.0008","24.767","0.004","8.3089","0.0019","90","","90.206","0.017","90","","1067","0.3","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(25_F2 or 10-017)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1036","0.046","","","0.0844","0.0984","","","","","","0.82","","","","has coordinates,has disorder","301865","2025-08-22","16:16:54",""
"7225601","11.0951","0.0003","12.1037","0.0003","16.9753","0.0003","90","","94.195","0.002","90","","2273.54","0.09","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_26 or 11-045)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C104 H72 F16 N8 O8 -","8","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.105","0.0628","","","0.1476","0.173","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225602","10.1031","0.0018","21.838","0.003","4.8875","0.0006","90","","90","","90","","1078.3","0.3","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","","(26_F2 or 11-018)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0716","0.0336","","","0.0599","0.0667","","","","","","0.848","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225603","5.4841","0.0003","7.8068","0.0006","12.6875","0.0005","106.756","0.005","98.878","0.004","90.151","0.005","513.26","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(F2_34 or 11-036)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0463","0.0409","","","0.1122","0.1174","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225604","5.4519","0.0002","7.7415","0.0005","12.9335","0.0007","106.965","0.005","100.535","0.004","90.213","0.004","512.37","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(34_F2 or 10-019)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0412","0.0333","","","0.0955","0.0983","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225605","10.3601","0.0002","5.1575","0.0001","20.2429","0.0004","90","","103.012","0.002","90","","1053.85","0.04","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_35 or 11-035)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C–H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C–F/C–H disorder in a 2 × 6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0384","0.034","","","0.0868","0.09","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225606","5.1095","0.0001","9.4583","0.0004","22.2306","0.0008","90","","96.284","0.003","90","","1067.89","0.06","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(35_F2 or 10-021)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0771","0.0359","","","0.0813","0.0925","","","","","","0.857","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225607","10.377","0.005","10.954","0.005","13.394","0.005","81.382","0.005","86.711","0.005","63.095","0.005","1342.3","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N8 O6 Zn -","- C28 H20 N8 O6 Zn -","- C56 H40 N16 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0465","0.04","","","0.1075","0.1123","","","","","","1.042","","","","has coordinates,has disorder","185182","2020-10-21","18:00:00",""
"7225608","8.0366","0.0001","9.3162","0.0002","12.3132","0.0002","97.715","0.001","108.104","0.001","113.175","0.001","770.05","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N2 O7 Zn -","- C15 H15 N2 O7 Zn -","- C30 H30 N4 O14 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0421","0.0377","","","0.1092","0.1124","","","","","","1.075","","","","has coordinates","185182","2020-10-21","18:00:00",""
"7225609","4.8563","0.0007","9.3274","0.0009","20.671","0.003","90","","103.494","0.011","90","","910.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0774","0.0341","","","0.08","0.0957","","","","","","0.87","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225610","4.8492","0.0008","9.3222","0.0011","20.646","0.003","90","","103.324","0.013","90","","908.2","0.2","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1","0.0351","","","0.0785","0.1048","","","","","","0.843","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225611","4.8433","0.0007","9.3162","0.001","20.618","0.003","90","","103.172","0.012","90","","905.8","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0952","0.0377","","","0.0865","0.1155","","","","","","0.9","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225612","4.8349","0.0007","9.3138","0.001","20.579","0.003","90","","103.032","0.012","90","","902.8","0.2","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0828","0.0358","","","0.0786","0.0964","","","","","","0.874","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225613","4.8273","0.0007","9.3086","0.0009","20.535","0.003","90","","102.85","0.011","90","","899.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0839","0.0357","","","0.0815","0.1034","","","","","","0.939","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225614","4.8221","0.0006","9.3052","0.0009","20.493","0.003","90","","102.666","0.01","90","","897.2","0.2","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0362","","","0.0863","0.116","","","","","","0.972","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225615","4.8165","0.0006","9.3035","0.0008","20.45","0.003","90","","102.5","0.01","90","","894.65","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0752","0.0354","","","0.0836","0.1057","","","","","","0.983","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225616","4.8107","0.0006","9.3013","0.0008","20.411","0.003","90","","102.337","0.01","90","","892.22","0.19","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0744","0.0378","","","0.0892","0.1116","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225617","4.8067","0.0006","9.3033","0.0008","20.367","0.002","90","","102.159","0.01","90","","890.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0392","","","0.0982","0.1264","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225618","8.133","0.0011","11.3031","0.0013","23.884","0.004","90","","90","","90","","2195.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1025","0.0538","","","0.1338","0.1783","","","","","","0.943","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225619","8.1071","0.0011","11.3252","0.0012","23.827","0.004","90","","90","","90","","2187.7","0.5","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0807","0.0399","","","0.0884","0.1078","","","","","","0.923","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225620","8.0808","0.0011","11.3449","0.0012","23.766","0.004","90","","90","","90","","2178.8","0.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0804","0.0405","","","0.0944","0.1189","","","","","","0.984","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225621","8.0565","0.001","11.3647","0.0012","23.719","0.004","90","","90","","90","","2171.7","0.5","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0465","","","0.1129","0.1474","","","","","","0.997","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225622","8.0324","0.001","11.3875","0.0011","23.665","0.003","90","","90","","90","","2164.6","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0818","0.0491","","","0.124","0.1581","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225623","8.0056","0.0009","11.4027","0.0011","23.615","0.003","90","","90","","90","","2155.7","0.4","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0864","0.0565","","","0.1477","0.1754","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225624","7.9837","0.001","11.4209","0.0012","23.589","0.003","90","","90","","90","","2150.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0432","","","0.104","0.1174","","","","","","0.927","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225625","7.9621","0.001","11.4304","0.0013","23.548","0.004","90","","90","","90","","2143.1","0.5","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0759","0.0423","","","0.095","0.1066","","","","","","0.889","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225626","7.9445","0.0011","11.4431","0.0014","23.524","0.004","90","","90","","90","","2138.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0858","0.0458","","","0.1015","0.1151","","","","","","0.894","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225627","7.8988","0.0008","11.3424","0.0012","23.327","0.01","90","","90","","90","","2089.9","0.9","293","2","293","2","500000","","500000","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1999","0.0775","","","0.1747","0.2431","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225628","4.8316","0.0003","9.291","0.002","20.4354","0.0015","90","","102.972","0.006","90","","893.9","0.2","293","2","293","2","100000","","100000","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.132","0.0619","","","0.1419","0.1915","","","","","","0.93","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225629","4.854","0.0004","9.3349","0.0011","19.2555","0.0015","98.866","0.008","92.311","0.006","96.887","0.008","854.31","0.14","293","2","293","2","400000","","400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1605","0.1012","","","0.2496","0.2992","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225630","4.8193","0.0003","9.2205","0.0012","18.9807","0.0013","99.01","0.008","93.373","0.006","96.474","0.008","825.2","0.13","293","2","293","2","1010000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1571","0.0995","","","0.2501","0.3045","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225631","4.8011","0.0003","9.1664","0.0013","18.8557","0.0016","99.072","0.009","93.873","0.006","96.313","0.008","811.42","0.15","293","2","293","2","1480000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1395","0.0623","","","0.1306","0.1527","","","","","","0.91","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225632","4.7793","0.0003","9.0995","0.0012","18.7215","0.0016","99.175","0.008","94.392","0.006","96.158","0.008","795.48","0.14","293","2","293","2","1960000","","1960000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1325","0.0896","","","0.2193","0.2573","","","","","","1.03","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225633","4.7548","0.0003","9.0519","0.001","18.5909","0.0011","99.268","0.007","94.92","0.005","95.865","0.007","781.3","0.11","293","2","293","2","2460000","","2460000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1369","0.0653","","","0.1322","0.1525","","","","","","0.887","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225634","4.7294","0.0003","9.015","0.0012","18.4226","0.0014","99.561","0.008","95.475","0.006","94.927","0.008","766.86","0.13","293","2","293","2","3130000","","3130000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1382","0.0868","","","0.2096","0.2527","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225635","4.7136","0.0003","8.9774","0.001","18.3305","0.0011","99.633","0.007","95.811","0.005","94.695","0.006","756.94","0.11","293","2","293","2","3570000","","3570000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1464","0.0943","","","0.2387","0.2875","","","","","","1.083","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225636","4.7036","0.0003","8.9504","0.0012","18.2696","0.0014","99.64","0.008","96.012","0.006","94.585","0.008","750.37","0.13","293","2","293","2","3980000","","3980000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1326","0.0829","","","0.2009","0.2423","","","","","","1.073","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225637","4.6911","0.0003","8.9235","0.0011","18.2045","0.0011","99.652","0.007","96.245","0.005","94.537","0.007","743.12","0.11","293","2","293","2","4400000","","4400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1233","0.079","","","0.197","0.2335","","","","","","1.045","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225638","4.6691","0.0003","8.8675","0.001","18.0795","0.0011","99.614","0.007","96.706","0.005","94.481","0.007","729.34","0.11","293","2","293","2","5310000","","5310000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine–glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1171","0.0709","","","0.1611","0.1964","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225639","12.0457","0.001","24.685","0.002","13.3843","0.0011","90","","99.531","0.001","90","","3924.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H60 Eu3 N5 O22 -","- C82 H60 Eu3 N5 O22 -","- C164 H120 Eu6 N10 O44 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0692","0.0538","","","0.1245","0.1325","","","","","","1.069","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225640","12.008","0.0003","24.6141","0.0006","13.3586","0.0003","90","","99.442","0.002","90","","3894.86","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Tb3 -","- C87 H70 N6 O23 Tb3 -","- C174 H140 N12 O46 Tb6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71073","MoKα","","0.0443","0.0406","","","0.0878","0.0908","","","","","","1.014","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225641","12.0744","0.0003","24.653","0.0007","13.3768","0.0003","90","","99.52","0.002","90","","3927.04","0.17","295.06","0.1","295.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Sm3 -","- C87 H70 N6 O23 Sm3 -","- C174 H140 N12 O46 Sm6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.0474","0.0408","","","0.083","0.0883","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225642","11.9691","0.0003","24.5557","0.0007","13.3369","0.0004","90","","99.538","0.003","90","","3865.66","0.19","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Dy3 N6 O23 -","- C87 H70 Dy3 N6 O23 -","- C174 H140 Dy6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.033","0.031","","","0.0664","0.0678","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225643","12.0505","0.0012","24.708","0.003","13.4026","0.0013","90","","99.519","0.002","90","","3935.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Gd3 N6 O23 -","- C87 H70 Gd3 N6 O23 -","- C174 H140 Gd6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0576","0.0429","","","0.069","0.0753","","","","","","0.967","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225644","9.5598","0.0006","9.6393","0.0007","18.0624","0.0012","75.207","0.006","81.884","0.006","72.871","0.006","1533.97","0.19","290.5","0.9","290.5","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br O2 -","- C17 H17 Br O2 -","- C68 H68 Br4 O8 -","4","2","","Chen, Dao-Qian; Guo, Chun-Huan; Zhang, Heng-Rui; Jin, Dong-Po; Li, Xue-Song; Gao, Pin; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","A metal-free transformation of alkynes to carbonyls directed by remote OH group","Green Chem.","2016","18","15","4176","","10.1039/C6GC01141A","","x-ray","0.71","MoKα","","0.0911","0.0673","","","0.1682","0.1845","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225645","15.8817","0.0011","17.5053","0.0015","17.8702","0.0014","90","","90","","90","","4968.2","0.7","290","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H21 Cd N4 O7.5 -","- C20 H21 Cd N4 O7.5 -","- C160 H168 Cd8 N32 O60 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin","Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.","Physical chemistry chemical physics : PCCP","2016","18","28","19001","19010","10.1039/c6cp02530g","","","0.71073","MoKα","","0.1087","0.0875","","","0.1531","0.1917","","","","","","1.043","","","","has coordinates","185673","2020-10-21","18:00:00",""
"7225646","13.846","0.003","16.556","0.003","8.239","0.0016","90","","90","","90","","1888.7","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","0.5","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin","Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.","Physical chemistry chemical physics : PCCP","2016","18","28","19001","19010","10.1039/c6cp02530g","","","0.71073","MoKα","","0.0419","0.0318","","","0.0816","0.0865","","","","","","1.06","","","","has coordinates","185673","2020-10-21","18:00:00",""
"7225655","10.392","0.0011","15.7128","0.0016","9.0091","0.001","90","","102.556","0.003","90","","1435.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F3 I N0 O2 -","- C16 H8 F3 I O2 -","- C64 H32 F12 I4 O8 -","4","1","","Ni, Shengyang; Cao, Jia; Mei, Haibo; Han, Jianlin; Li, Shuhua; Pan, Yi","Sunlight-promoted cyclization versus decarboxylation in the reaction of alkynoates with N-iodosuccinimide: easy access to 3-iodocoumarins","Green Chem.","2016","18","14","3935","","10.1039/C6GC01027J","","","0.71073","MoKα","","0.0402","0.0361","","","0.0996","0.1044","","","","","","1.075","","","","has coordinates","185560","2020-10-21","18:00:00",""
"7225656","7.3864","0.0004","12.0203","0.0007","12.5938","0.0007","90","","103.725","0.006","90","","1086.23","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N4 O -","- C9 H16 N4 O -","- C36 H64 N16 O4 -","4","1","","Zanatta, Marcileia; Girard, Anne-Lise; Marin, Graciane; Ebeling, Gunter; Dos Santos, Francisco P.; Valsecchi, Chiara; Stassen, Hubert; Livotto, Paolo R.; Lewis, William; Dupont, Jairton","Confined water in imidazolium based ionic liquids: a supramolecular guest@host complex case.","Physical chemistry chemical physics : PCCP","2016","18","27","18297","18304","10.1039/c6cp03112a","","x-ray","1.54184","CuKα","","0.0542","0.0509","","","0.1423","0.1456","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225657","8.84","0.0005","15.0313","0.0009","11.9237","0.0007","90","","111.183","0.001","90","","1477.33","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-bis(trifluoromethyl)-3-[dimethylaminophenyl] methylene-2,4-pentanedione","","- C14 H11 F6 N O2 -","- C14 H11 F6 N O2 -","- C56 H44 F24 N4 O8 -","4","1","","Mróz, M M; Benedini, S.; Forni, A.; Botta, C.; Pasini, D.; Cariati, E.; Virgili, T.","Long-living optical gain induced by solvent viscosity in a push-pull molecule.","Physical chemistry chemical physics : PCCP","2016","18","27","18289","18296","10.1039/c6cp02988d","","","0.71073","MoKα","","0.0515","0.042","","","0.1095","0.1188","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225667","3.8653","0.0004","11.5522","0.0012","14.4711","0.0014","98.976","0.006","93.377","0.005","91.025","0.006","636.91","0.11","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0767","0.0457","","","0.0909","0.098","","","","","","1.019","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225668","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0295","0.0266","","","0.0813","0.0828","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225669","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.021","0.017","","","","0.022","","","","","","1.33","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225670","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0763","0.0786","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225671","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.022","0.016","","","","0.02","","","","","","1.204","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225672","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0399","0.0292","","","0.0592","0.0623","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225673","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0515","0.0368","","","0.1018","0.1079","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225674","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.056","0.029","","","","0.028","","","","","","1.447","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225675","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0372","0.0274","","","0.0816","0.0849","","","","","","1.047","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225676","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.032","0.019","","","","0.021","","","","","","1.131","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225677","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0524","0.0378","","","0.0891","0.0941","","","","","","1.103","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225678","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0303","0.0251","","","0.0816","0.0839","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225679","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.023","0.015","","","","0.019","","","","","","1.171","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225680","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0346","0.0264","","","0.0799","0.083","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225681","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.02","","","","","","1.088","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225682","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0409","0.0337","","","0.0779","0.0808","","","","","","1.106","","","","has coordinates,has disorder","301865","2025-08-22","16:16:54",""
"7225683","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0557","0.0348","","","0.0939","0.1011","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225684","7.14","0.005","9.29","0.005","14.774","0.005","90","0.005","94.463","0.005","90","0.005","977","0.9","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.06","0.028","","","","0.026","","","","","","1.155","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225685","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.1269","0.0888","","","0.223","0.2545","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225686","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0509","0.0328","","","0.0909","0.0965","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225687","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.051","0.027","","","","0.024","","","","","","1.094","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225688","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0396","0.0333","","","0.1027","0.1065","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225689","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.034","0.024","","","","0.033","","","","","","2.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225690","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0448","0.0336","","","0.0891","0.0943","","","","","","1.032","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225691","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.043","0.026","","","","0.028","","","","","","1.575","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225692","7.9413","0.0003","8.901","0.0004","9.0838","0.0003","71.31","0.002","70.358","0.001","76.061","0.002","566.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0354","0.0289","","","0.0872","0.0903","","","","","","1.029","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225693","10.036","0.002","7.6591","0.0017","13.948","0.003","90","","99.62","0.014","90","","1057.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N2 O6 -","- C20 H24 Cl2 N2 O6 -","- C40 H48 Cl4 N4 O12 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0668","0.0429","","","0.0909","0.0991","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225694","10.6104","0.0004","17.7659","0.0007","12.3211","0.0005","90","","108.681","0.001","90","","2200.21","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 N2 O7 -","- C20 H26 Cl2 N2 O7 -","- C80 H104 Cl8 N8 O28 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0438","0.0334","","","0.0962","0.1008","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225695","8.0154","0.0003","9.3997","0.0003","11.8524","0.0005","71.632","0.002","88.044","0.002","86.436","0.002","845.75","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C32 H24 Cl6 N2 O12 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0452","0.0332","","","0.0775","0.0814","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225696","18.3393","0.0005","4.9542","0.0001","19.8433","0.0005","90","","110.869","0.001","90","","1684.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C64 H48 Cl12 N4 O24 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0267","0.0239","","","0.0644","0.0652","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225697","8.4477","0.0003","10.5046","0.0003","18.2834","0.0004","99.084","0.0016","93.6611","0.0017","91.1015","0.0012","1598.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl5 N2 O10 -","- C29 H23 Cl5 N2 O10 -","- C58 H46 Cl10 N4 O20 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0583","0.0336","","","0.0816","0.0863","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225698","11.7516","0.0011","11.5488","0.0012","15.4398","0.0015","90","","95.931","0.006","90","","2084.2","0.4","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl2 N O4 -","- C20 H25 Cl2 N O4 -","- C80 H100 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0791","0.0406","","","0.0862","0.1025","","","","","","1.026","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225699","20.1682","0.0002","20.1682","0.0002","20.1682","0.0002","90","","90","","90","","8203.54","0.14","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C60 H37.92 In8 N36 O55 -","- C60 H37.92 In8 N36 O55 -","- C120 H75.84 In16 N72 O110 -","2","0.0416667","","Guo, Xiao-Qing; Wang, Miao; Meng, Fei; Tang, Yan-Feng; Tian, Shu; Yang, Hua-Ling; Jiang, Guo-Qing; Zhu, Jin-Li","Rational design and synthesis of an amino-functionalized hydrogen-bonded network with an ACO zeolite-like topology for gas storage","CrystEngComm","2016","18","30","5616","","10.1039/C6CE01164K","","","0.71073","MoKα","","0.0974","0.0912","","","0.2921","0.3045","","","","","","1.384","","","","has coordinates","185185","2020-10-21","18:00:00",""
"7225700","6.5991","0.0007","6.9097","0.0007","8.2602","0.0009","109.839","0.01","95.545","0.009","94.714","0.008","349.97","0.07","","","293.2","","","","","","","","","5","P 1","P 1","1","","1,5,3-dithiazepan-3-ol","","- C2.667 H6 N0.667 O0.667 S1.333 -","- C2.66667 H6 N0.666667 O0.666667 S1.33333 -","- C8 H18 N2 O2 S4 -","3","3","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.7107","MoKα","","0.044094","0.035372","","","","0.1103","","","","","","1.10693","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225701","6.4993","0.0006","8.663","0.0006","8.5034","0.0005","90","","104.738","0.007","90","","463.02","0.06","200","2","200.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C14 H26 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0396","0.0381","","","0.1086","0.1108","","","","","","1.108","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225702","6.58182","0.00017","16.4019","0.0004","11.5843","0.0004","90","","98.923","0.003","90","","1235.44","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C8 H17 N O3 S3 -","- C8 H17 N O3 S3 -","- C32 H68 N4 O12 S12 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0374","0.0318","","","0.0736","0.0762","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225703","10.5874","0.0004","10.2833","0.0003","25.2185","0.001","90","","90","","90","","2745.62","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(1,5,3-dithiazepan-3-yl)-2-phenylpropanoic acid","","- C13 H17 N O2 S2 -","- C13 H17 N O2 S2 -","- C104 H136 N8 O16 S16 -","8","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0558","0.0464","","","0.1113","0.1176","","","","","","1.11","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225704","10.6926","0.0006","10.9871","0.0007","21.4364","0.0015","90","","90","","90","","2518.4","0.3","200.19","0.1","200.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-4-methylpentanoic acid","","- C10 H19 N O2 S2 -","- C10 H19 N O2 S2 -","- C80 H152 N8 O16 S16 -","8","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0781","0.0602","","","0.1102","0.1211","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225705","5.0968","0.0003","6.7869","0.0003","16.636","0.001","78.801","0.005","87.344","0.005","69.141","0.005","527.34","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(1,5,3-dithiazepan-3-yl)butanoic acid","","- C8 H15 N O2 S2 -","- C8 H15 N O2 S2 -","- C16 H30 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.7107","MoKα","","0.0466","0.0384","","","0.119","0.1328","","","","","","0.943","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225706","6.8616","0.0011","8.8688","0.0008","8.9458","0.001","66.923","0.01","70.122","0.013","85.373","0.01","470.12","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-3-hydroxypropanoic acid","","- C7 H13 N O3 S2 -","- C7 H13 N O3 S2 -","- C14 H26 N2 O6 S4 -","2","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.71073","","","0.0524","0.0467","","","0.1122","0.1182","","","","","","0.864","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225707","4.9212","0.0005","30.519","0.002","6.7336","0.0004","90","","103.709","0.008","90","","982.51","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H12 N O2 S2 -","- C7 H12 N O2 S2 -","- C28 H48 N4 O8 S8 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0678","0.0536","","","0.1348","0.1448","","","","","","1.057","","","","has coordinates,has disorder","185186","2020-10-21","18:00:00",""
"7225708","6.6882","0.0003","8.6039","0.0004","8.0793","0.0004","90","","94.507","0.005","90","","463.48","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C6 H13 N O3 S2 -","- C6 H13 N O3 S2 -","- C12 H26 N2 O6 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0313","0.0303","","","0.0865","0.0888","","","","","","0.853","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225711","35.116","0.002","7.7402","0.0005","9.1539","0.0005","90","","90","","90","","2488.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C88 H144 Cl8 N8 O8 -","8","1","","Namespetra, Andrew M.; Hirsh, David A.; Hildebrand, Marcel P.; Sandre, Anthony R.; Hamaed, Hiyam; Rawson, Jeremy M.; Schurko, Robert W.","35Cl solid-state NMR spectroscopy of HCl pharmaceuticals and their polymorphs in bulk and dosage forms","CrystEngComm","2016","18","33","6213","","10.1039/C6CE01069E","","","0.71073","MoKα","","0.0585","0.0577","","","0.1075","0.1078","","","","","","1.452","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225712","5.964","0.002","20.098","0.008","14.385","0.008","90","","99.25","0.05","90","","1701.8","1.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8.018 H20.054 Br4 N Sb -","- C32.072 H80.216 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0663","0.046","","","0.1133","0.121","","","","","","0.915","","","","has coordinates,has disorder","186362","2020-10-21","18:00:00",""
"7225713","6.046","0.002","18.186","0.003","14.839","0.003","90","","96.32","0.02","90","","1621.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8 H20 Br4 N Sb -","- C32 H80 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0511","0.0325","","","0.0724","0.0752","","","","","","1.007","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225714","5.79","0.002","19.485","0.003","14.275","0.003","90","","101.28","0.03","90","","1579.4","0.7","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0728","0.0343","","","0.0589","0.0645","","","","","","0.822","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225715","5.75","0.002","19.314","0.003","14.248","0.003","90","","101.99","0.02","90","","1547.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0354","0.0287","","","0.0784","0.0803","","","","","","1.146","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225720","27.249","0.005","27.42","0.005","25.189","0.005","90","0.005","90","0.005","90","0.005","18820","6","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C96 H108 Co5 N32 O100 P2 W24 -","- C96 H80 Co5 N32 O86 P2 W24 -","- C384 H320 Co20 N128 O344 P8 W96 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0731","0.0493","","","0.1211","0.1328","","","","","","0.809","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225721","26.8635","0.0013","20.0627","0.001","13.1107","0.0006","90","","90","","90","","7066.1","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 Co2 Ge N12 O42 W12 -","- C36 H30 Co2 Ge N12 O40 W12 -","- C144 H120 Co8 Ge4 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0907","0.0689","","","0.1701","0.1834","","","","","","1.066","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225722","26.78","0.005","19.963","0.005","12.98","0.005","90","0.005","90","0.005","90","0.005","6939","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 B Co2 N12 O42 W12 -","- C36 H30 B Co2 N12 O41 W12 -","- C144 H120 B4 Co8 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0865","0.0555","","","0.1622","0.178","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225723","26.548","0.005","20.076","0.005","12.964","0.005","90","0.005","90","0.005","90","0.005","6910","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H38 Co2 N12 O42 W12 -","- C36 H30 Co2 N12 O40 W12 -","- C144 H120 Co8 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0804","0.0576","","","0.147","0.1613","","","","","","1.057","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225724","11.2301","0.0006","12.9434","0.0007","13.2453","0.0008","96.455","0.001","113.462","0.001","104.427","0.001","1661.18","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B Cu N12 O42 W12 -","- C36 H30 B Cu N12 O40 W12 -","- C36 H30 B Cu N12 O40 W12 -","1","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0828","0.0662","","","0.1455","0.1525","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225725","26.664","0.005","20.022","0.005","12.937","0.005","90","0.005","90","0.005","90","0.005","6907","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H41 Ag2 B N12 O42 W12 -","- C36 H30 Ag2 B N12 O41 W12 -","- C144 H120 Ag8 B4 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.103","0.0702","","","0.176","0.1995","","","","","","0.834","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225726","25.994","0.0003","25.994","0.0003","25.994","0.0003","90","","90","","90","","17563.8","0.4","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C76.6 H78.2 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","","","0.0733","0.055","","","0.1658","0.1969","","","","","","1.048","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225727","25.7627","0.0002","25.7627","0.0002","25.7627","0.0002","90","","90","","90","","17099.1","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C79 H83 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0416","0.0365","","","0.108","0.1175","","","","","","1.155","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225728","25.77025","0.00014","25.77025","0.00014","25.77025","0.00014","90","","90","","90","","17114.2","0.16","250","2","250.15","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C77.1 H83.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0421","0.0382","","","0.1323","0.137","","","","","","1.172","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225729","25.7752","0.0002","25.7752","0.0002","25.7752","0.0002","90","","90","","90","","17124","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C73.98 H77.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.0545","0.0534","","","0.1958","0.1973","","","","","","1.109","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225730","25.8577","0.0002","25.8577","0.0002","25.8577","0.0002","90","","90","","90","","17289","0.2","250","2","250","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C78.1 H74.6 N3 O13 S1.95 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.066","0.064","","","0.1951","0.2064","","","","","","1.227","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225731","10.886","0.002","10.237","0.002","11.376","0.002","90","","94.16","0.03","90","","1264.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 B Br F4 N2 O -","- C8 H18 B Br F4 N2 O -","- C32 H72 B4 Br4 F16 N8 O4 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0984","0.0649","","","0.1464","0.1692","","","","","","0.967","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225732","10.919","0.002","10.331","0.002","11.33","0.002","90","","94.06","0.03","90","","1274.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O5 -","- C8 H18 Cl2 N2 O5 -","- C32 H72 Cl8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0569","0.0436","","","0.1037","0.1105","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225733","11.018","0.002","10.388","0.002","11.406","0.002","90","","94.03","0.03","90","","1302.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Br Cl D2 N2 O5 -","- C8 H16 Br Cl D2 N2 O5 -","- C32 H64 Br4 Cl4 D8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0634","0.046","","","0.1014","0.1094","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225734","10.98","0.002","10.333","0.002","11.37","0.002","90","","93.92","0.03","90","","1287","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0558","0.0427","","","0.0921","0.098","","","","","","1.088","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225735","11.055","0.006","10.452","0.006","11.388","0.006","90","","94.249","0.009","90","","1312.2","1.2","333","2","333","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.08","0.0521","","","0.0974","0.107","","","","","","1.11","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225736","11.067","0.002","10.483","0.002","11.404","0.002","90","","94.32","0.03","90","","1319.3","0.4","343","2","343","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.131","0.0576","","","0.1074","0.1336","","","","","","0.972","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225737","6.8562","0.0005","11.9649","0.0009","20.6362","0.001","78.951","0.005","88.87","0.005","76.106","0.006","1612.26","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) dihydrate","","- C15 H15 N3 O8 -","- C15 H15 N3 O8 -","- C60 H60 N12 O32 -","4","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0975","0.0848","","","0.2353","0.2446","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225738","7.7787","0.0001","18.8747","0.0002","13.0343","0.0001","90","","91.528","0.001","90","","1913.02","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","n-phenylurea 5-nitroisophthalic acid acetone solvate","","- C18 H19 N3 O8 -","- C18 H19 N3 O8 -","- C72 H76 N12 O32 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0376","0.0345","","","0.0937","0.0969","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225739","12.2579","0.0006","14.7289","0.0009","23.505","0.0014","94.49","0.005","91.215","0.004","90.291","0.004","4229.6","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","Heptakis(n-phenylurea) tetrakis(5-nitroisophthalic acid) dimethanol solvate","","- C83 H84 N18 O33 -","- C83 H84 N18 O33 -","- C166 H168 N36 O66 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.1125","0.0553","","","0.1163","0.146","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225740","6.9335","0.0003","12.4902","0.0007","25.4854","0.0013","89.062","0.005","83.694","0.004","74.923","0.003","2118.02","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) monohydrate ethanol solvate","","- C39 H42 N8 O17 -","- C39 H34 N8 O17 -","- C78 H68 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","0.9538","synchrotron","","0.1972","0.1019","","","0.2761","0.3331","","","","","","1.005","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225741","10.0887","0.0005","12.3161","0.0005","17.3345","0.001","70.478","0.005","87.122","0.004","87.659","0.004","2026.83","0.19","150","0.14","150","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) acetonitrile solvate","","- C39 H37 N9 O15 -","- C39 H37 N9 O15 -","- C78 H74 N18 O30 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","1.54184","CuKα","","0.0526","0.0396","","","0.1018","0.1125","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225742","12.3639","0.0007","13.0486","0.001","13.8208","0.001","71.686","0.007","89.156","0.005","87.439","0.005","2114.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","'tris(n-phenylurea) bis(5-nitroisophthalic acid) acetone solvate hydrate","","- C40 H42 N8 O17 -","- C40 H42 N8 O17 -","- C80 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.2373","0.0834","","","0.1392","0.2","","","","","","0.959","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225743","12.3606","0.0005","13.4644","0.0006","14.3535","0.0006","81.404","0.004","83.684","0.004","64.194","0.004","2123.72","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran solvate hydrate","","- C41 H44 N8 O17 -","- C41 H44 N8 O17 -","- C82 H88 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0633","0.0509","","","0.1348","0.147","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225744","9.8732","0.0004","10.997","0.0003","20.4449","0.0006","80.035","0.002","89.288","0.003","77.29","0.003","2131.99","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","Hepta(n-phenylurea) tetra(5-nitroisophthalic acid) ethyl acetate solvate","","- C41 H42 N8 O17 -","- C41 H42 N8 O17 -","- C82 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0687","0.0539","","","0.1404","0.1547","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225745","9.9483","0.0008","9.9564","0.0008","10.6641","0.0007","66.488","0.007","75.79","0.007","71.335","0.007","909.16","0.13","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran methanol solvate","","- C18 H21 N3 O8.5 -","- C19 H13 N3 O7.5 -","- C38 H26 N6 O15 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0721","0.0642","","","0.1914","0.204","","","","","","1.081","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225746","8.9131","0.0007","9.7105","0.0008","13.3778","0.0011","71.44","0.007","78.479","0.007","83.019","0.007","1073.43","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) 5-nitroisophthalic acid","","- C22 H21 N5 O8 -","- C22 H21 N5 O8 -","- C44 H42 N10 O16 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.093","0.052","","","0.0933","0.1101","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225747","15.1254","0.0003","12.7462","0.0002","16.2905","0.0004","90","","107.286","0.003","90","","2998.81","0.12","150","0.14","150","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(n-phenylurea) bis(5-nitroisophthalic acid)","","- C15 H13 N3 O7 -","- C15 H13 N3 O7 -","- C120 H104 N24 O56 -","8","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0659","0.0526","","","0.1358","0.1426","","","","","","1.123","","","","has coordinates","301865","2025-08-22","16:16:54",""
"7225758","14.4715","0.0011","20.1344","0.0015","20.747","0.0016","90","","98.1469","0.001","90","","5984.1","0.8","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C120 H120 Au8 N4 O8 P8 S2 -","- C120 H120 Au8 N4 O8 P8 S2 -","- C240 H240 Au16 N8 O16 P16 S4 -","2","0.5","","Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki","Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.","Physical chemistry chemical physics : PCCP","2016","18","28","19433","19439","10.1039/c6cp03129c","","","0.71073","MoKα","","0.0769","0.0541","","","0.1386","0.1678","","","","","","1.12","","","","has coordinates,has disorder","185675","2020-10-21","18:00:00",""
"7225759","33.432","0.006","17.913","0.003","24.121","0.004","90","","102.277","0.002","90","","14115","4","90","0.2","90","0.2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C121 H122 Au8 B2 Cl4 F8 N2 O P8 S2 -","- C121 H122 Au8 B2 Cl4 F8 N2 O P8 S2 -","- C484 H488 Au32 B8 Cl16 F32 N8 O4 P32 S8 -","4","0.5","","Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki","Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.","Physical chemistry chemical physics : PCCP","2016","18","28","19433","19439","10.1039/c6cp03129c","","","0.71073","MoKα","","0.1178","0.0659","","","0.1743","0.2099","","","","","","1.061","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225779","7.1649","0.0011","7.1976","0.0011","25.276","0.004","92.384","0.003","92.571","0.003","90.05","0.003","1301","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","2","","Zhang, Wen-Zhen; Yang, Ming-Wang; Lu, Xiao-Bing","Carboxylative cyclization of substituted propenyl ketones using CO2: transition-metal-free synthesis of α-pyrones","Green Chem.","2016","18","15","4181","","10.1039/C6GC01346E","","","0.71073","MoKα","","0.0921","0.0817","","","0.251","0.2593","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225786","12.6235","0.0002","16.225","0.0004","18.622","0.0004","90.7497","0.0018","103.79","0.0018","102.411","0.0017","3609.26","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H68 Cl8 I2 N4 O10 -","- C67 H68 Cl8 I2 N4 O10 -","- C134 H136 Cl16 I4 N8 O20 -","2","1","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0643","0.0544","","","0.1408","0.1513","","","","","","1.059","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225787","11.6992","0.0001","14.9802","0.0002","20.2256","0.0003","72.161","0.001","83.489","0.001","73.806","0.001","3238.85","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","1","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0362","0.0359","","","0.0987","0.0991","","","","","","1.041","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225788","20.04603","0.00013","23.88917","0.00014","14.22073","0.0001","90","","90","","90","","6810.07","0.08","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H68 F8 I4 N4 O12 -","- C67 H66 F8 I4 N4 O12 -","- C268 H264 F32 I16 N16 O48 -","4","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0471","0.046","","","0.1036","0.1041","","","","","","1.178","","","","has coordinates","185249","2020-10-21","18:00:00",""
"7225789","13.058","0.003","17.418","0.004","20.041","0.004","90","","108.21","0.03","90","","4329.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H48.5 Co N9.5 O7.5 -","- C35.5 H41.5 Co N8.5 O6.5 -","- C142 H166 Co4 N34 O26 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.1076","0.0887","","","0.2908","0.3118","","","","","","1.246","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225790","10.156","0.002","11.554","0.002","15.972","0.003","83.61","0.03","88.74","0.03","71.26","0.03","1763.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd N8 O6 -","- C34 H38 Cd N8 O6 -","- C68 H76 Cd2 N16 O12 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0385","0.0342","","","0.0821","0.0841","","","","","","1.098","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225791","10.0203","0.0004","11.3836","0.0004","15.9371","0.0005","82.852","0.001","87.396","0.001","72.518","0.001","1720.39","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N8 O6 Zn -","- C34 H38 N8 O6 Zn -","- C68 H76 N16 O12 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.0545","0.0398","","","0.0911","0.0973","","","","","","1.061","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225792","16.7033","0.0017","9.3648","0.0009","19.686","0.003","90","","108.139","0.005","90","","2926.3","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H31 Cu N7 O5 -","- C31 H31 Cu N7 O5 -","- C124 H124 Cu4 N28 O20 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.1287","0.0584","","","0.1153","0.1459","","","","","","0.961","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225793","7.965","0.0016","8.04","0.0016","20.311","0.004","81.56","0.03","85.94","0.03","86.61","0.03","1281.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N6 O5 Zn -","- C28 H26 N6 O5 Zn -","- C56 H52 N12 O10 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0916","0.0557","","","0.1239","0.1489","","","","","","1.043","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225794","12.344","0.0017","12.344","0.0017","17.575","0.004","90","","90","","90","","2678","0.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 N6 O5.5 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0364","0.0362","","","0.1185","0.1189","","","","","","1.157","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225795","12.469","0.0018","12.469","0.0018","17.439","0.003","90","","90","","90","","2711.3","0.7","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 Cd N6 O5.5 -","- C28 H24 Cd N6 O4 -","- C112 H96 Cd4 N24 O16 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0274","0.027","","","0.0661","0.0663","","","","","","1.127","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225796","14.792","0.002","14.792","0.002","18.957","0.004","90","","90","","120","","3592.1","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H38 N6 Ni O11 -","- C28 H24 N6 Ni O4 -","- C84 H72 N18 Ni3 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0279","0.0271","","","0.0757","0.0762","","","","","","1.042","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225797","14.78","0.002","14.78","0.002","19.179","0.004","90","","90","","120","","3628.3","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H56 Co N6 O20 -","- C28 H24 Co N6 O4 -","- C84 H72 Co3 N18 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0747","0.0379","","","0.0807","0.0922","","","","","","0.92","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225798","9.484","0.0019","14.148","0.003","9.994","0.002","90","","109.45","0.03","90","","1264.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","synchrotron","","0.072","0.0627","","","0.164","0.1734","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225799","9.801","0.002","13.736","0.003","14.268","0.003","79.99","0.03","80.75","0.03","85","0.03","1863.5","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C84 H78 N18 O12 -","6","6","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0618","0.0583","","","0.159","0.1629","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225800","9.875","0.002","9.422","0.0019","18.577","0.004","90","","104.92","0.03","90","","1670.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O3 -","- C17 H20 N4 O3 -","- C68 H80 N16 O12 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","Synchrotron","","0.0581","0.0489","","","0.1342","0.1409","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225801","13.152","0.003","8.441","0.0017","11.502","0.002","90","","90","","90","","1276.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0433","0.0411","","","0.1059","0.1133","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225804","35.1044","0.0007","35.1044","0.0007","11.7352","0.0004","90","","90","","90","","14461.5","0.6","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C320 H256 Cu32 N192 O320 Si8 W96 -","8","","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.1001","0.0665","","","0.1414","0.1608","","","","","","1.003","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225805","12.482","0.003","14.603","0.003","21.09","0.004","97.12","0.03","97.82","0.03","105.37","0.03","3620.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C80 H64 Cu8 N48 O80 Si2 W24 -","2","1","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.0845","0.0571","","","0.1172","0.129","","","","","","1.029","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225806","13.433","0.002","9.4245","0.0014","17.988","0.003","90","","94.098","0.002","90","","2271.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 Ag3 N2 O7 -","- C25 H15 Ag3 N2 O7 -","- C100 H60 Ag12 N8 O28 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0344","0.0283","","","0.0687","0.0714","","","","","","1.041","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225807","7.9925","0.0005","11.0074","0.0007","13.5766","0.0009","73.142","0.002","73.262","0.002","71.833","0.002","1060.17","0.12","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Ag N2 O7 -","- C25 H17 Ag N2 O7 -","- C50 H34 Ag2 N4 O14 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.075","0.049","","","0.1306","0.1481","","","","","","1.001","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225808","10.0949","0.0007","24.2027","0.0015","10.3445","0.0008","90","","97.76","0.003","90","","2504.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cu I0 N4 O9 -","- C27 H22 Cu N4 O9 -","- C108 H88 Cu4 N16 O36 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0949","0.0512","","","0.1283","0.1528","","","","","","0.941","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225809","9.766","0.009","14.061","0.013","23.12","0.02","82.775","0.012","80.273","0.011","72.37","0.012","2973","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H51 Ag3 N12 O16 -","- C66 H51 Ag3 N12 O16 -","- C132 H102 Ag6 N24 O32 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0768","0.0577","","","0.1183","0.1433","","","","","","1.004","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225810","14.952","0.002","14.952","0.002","9.0826","0.0018","90","","90","","90","","2030.5","0.6","293","2","293","2","","","","","","","","5","P -4","P -4","81","C28 H41.70 N12.40 O18.45 Zn4","","","- C28 H41.7 N12.4 O18.45 Zn4 -","- C28 H31.2 N12.4 O18.45 Zn4 -","- C56 H62.4 N24.8 O36.9 Zn8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Xu, Jian-Gang; Sun, Cai; Li, Rong; Zhao, Ya-Ping; Yan, Yong; Zheng, Fa-Kun; Guo, Guo-Cong","An enhanced extended hook method to realize tetranuclear metal clusters embedded in energetic metal‒organic framework channels","CrystEngComm","2016","18","31","5803","","10.1039/C6CE00892E","","","0.71073","MoKα","","0.0421","0.0393","","","0.1022","0.1033","","","","","","1.007","","","","has coordinates,has disorder","185254","2020-10-21","18:00:00",""
"7225811","15.8769","0.0005","23.5103","0.0008","23.1577","0.0008","90","","101.226","0.002","90","","8478.7","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C168 H241 Ho4 N27 O59 P6 -","- C86 H48 Ho4 N6 O39 P6 -","- C172 H96 Ho8 N12 O78 P12 -","2","1","","Ling, Yajing; Jiao, Jingjing; Zhang, Mingxing; Liu, Huimin; Bai, Dongjie; Feng, Yunlong; He, Yabing","A porous lanthanide metal‒organic framework based on a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas adsorption","CrystEngComm","2016","18","33","6254","","10.1039/C6CE00497K","","","0.71073","MoKα","","0.0614","0.0561","","","0.1462","0.1525","","","","","","1.006","","","","has coordinates","186369","2020-10-21","18:00:00",""
"7225812","8.898","0.0018","9.247","0.0018","14.663","0.003","93.17","0.03","98.79","0.03","114.16","0.03","1078.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N O Si -","- C24 H24 Cl N O Si -","- C48 H48 Cl2 N2 O2 Si2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0816","0.0561","","","0.1456","0.164","","","","","","1.057","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225813","8.8297","0.0018","9.1147","0.0018","14.282","0.003","91.02","0.03","99.85","0.03","115.48","0.03","1016.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C50 H48 Cl2 N2 O2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host–guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0596","0.0384","","","0.0934","0.1058","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225814","10.008","0.002","14.177","0.003","14.937","0.003","64.62","0.03","72.74","0.03","77.69","0.03","1819.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.1022","0.0516","","","0.1099","0.1314","","","","","","1.006","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225815","8.5764","0.0017","8.9494","0.0018","15.567","0.003","89.44","0.03","85.34","0.03","63.17","0.03","1062.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O2 -","- C25 H26 Cl N O2 -","- C50 H52 Cl2 N2 O4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host–guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0563","0.0424","","","0.1048","0.1132","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225816","8.761","0.0018","9.6081","0.0019","23.756","0.005","91.94","0.03","93.39","0.03","113.9","0.03","1821.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0695","0.0531","","","0.141","0.1541","","","","","","1.039","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225817","14.078","0.003","9.2242","0.0018","16.232","0.003","90","","96.74","0.03","90","","2093.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C100 H96 Cl4 N4 O4 -","4","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host–guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0665","0.0403","","","0.0907","0.1047","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225818","8.8493","0.0018","9.1507","0.0018","14.38","0.003","91.4","0.03","99.68","0.03","115.03","0.03","1034.1","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.73 H24 Cl N O Si0.27 -","- C24.729 H24 Cl N O Si0.271 -","- C49.458 H48 Cl2 N2 O2 Si0.542 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0722","0.0588","","","0.1435","0.1527","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225819","8.8549","0.0018","9.148","0.0018","14.37","0.003","91.44","0.03","99.75","0.03","115.05","0.03","1033.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.76 H24 Cl N O Si0.24 -","- C24.756 H24 Cl N O Si0.244 -","- C49.512 H48 Cl2 N2 O2 Si0.488 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0845","0.0646","","","0.146","0.1585","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225820","26.284","0.003","26.284","0.003","12.9228","0.0015","90","","90","","90","","8927.7","1.8","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Cl4 Fe4 N16 O24 -","- C62 H88 Cl4 Fe4 N16 O24 -","- C248 H352 Cl16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.0834","0.0607","","","0.1735","0.2001","","","","","","1.007","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225821","26.292","0.005","26.292","0.005","12.959","0.002","90","","90","","90","","8958","3","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Br4 Fe4 N16 O24 -","- C62 H88 Br4 Fe4 N16 O24 -","- C248 H352 Br16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1033","0.0577","","","0.1471","0.1761","","","","","","1.011","","","","has coordinates,has disorder","186368","2020-10-21","18:00:00",""
"7225822","20.032","0.003","21.9","0.003","27.421","0.004","113.261","0.002","92.344","0.003","96.129","0.002","10943","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Cl10 Mn10 N26 O38 -","- C117 H106 Cl10 Mn10 N26 O38 -","- C234 H212 Cl20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1432","0.0706","","","0.1595","0.1714","","","","","","0.986","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225823","20.239","0.009","21.285","0.009","26.335","0.011","113.598","0.006","91.571","0.007","95.727","0.006","10316","8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Br10 Mn10 N26 O38 -","- C117 H106 Br10 Mn10 N26 O38 -","- C234 H212 Br20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1638","0.0989","","","0.2351","0.2597","","","","","","1.133","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225824","6.9562","0.0003","19.7321","0.0008","13.4459","0.0006","90","","93.4175","0.0013","90","","1842.31","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N3 O5.5 S -","- C6 H10 N3 O5.5 S -","- C48 H80 N24 O44 S8 -","8","2","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","","0.71073","MoKα","","0.046","0.0366","","","0.0929","0.0986","","","","","","1.0594","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225825","6.6307","0.0004","16.328","0.0013","7.4836","0.0005","90","","92.183","0.007","90","","809.63","0.1","290","2","290","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br N3 O -","- C6 H8 Br N3 O -","- C24 H32 Br4 N12 O4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.086","0.0448","","","0.1056","0.125","","","","","","0.979","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225826","6.363","0.0013","15.97","0.006","8.043","0.002","90","","92.151","0.016","90","","816.7","0.4","290","2","290","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0495","","","0.1261","0.1374","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225827","7.3259","0.0002","6.3982","0.0002","19.5779","0.0007","90","","98.246","0.001","90","","908.18","0.05","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0463","","","0.1206","0.1291","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225828","27.6565","0.0009","10.6992","0.0003","24.5174","0.0007","90","","94.143","0.003","90","","7235.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Dy2 N6 O18 -","- C72 H78 Al2 Dy2 N6 O18 -","- C288 H312 Al8 Dy8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21469","21480","10.1039/c6cp02942f","","","0.71073","MoKα","","0.031","0.0255","","","0.0551","0.0581","","","","","","1.064","","","","has coordinates","185670","2020-10-21","18:00:00",""
"7225829","28.4714","0.0005","10.5419","0.0002","24.4309","0.0005","90","","94.949","0.002","90","","7305.4","0.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Dy2 Fe2 N6 O18 -","- C72 H78 Dy2 Fe2 N6 O18 -","- C288 H312 Dy8 Fe8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21469","21480","10.1039/c6cp02942f","","","0.71073","MoKα","","0.0345","0.029","","","0.0583","0.0603","","","","","","1.123","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225830","11.5545","0.0005","19.8056","0.0009","9.1539","0.0004","90","","94.097","0.003","90","","2089.46","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N5 Ni O3 -","- C25 H17 N5 Ni O3 -","- C100 H68 N20 Ni4 O12 -","4","1","","Majee, Karunamay; Patel, Jully; Rai, Surabhi; Das, Babulal; Panda, Binata; Padhi, Sumanta Kumar","Proton reduction by a nickel complex with an internal quinoline moiety for proton relay.","Physical chemistry chemical physics : PCCP","2016","18","31","21640","21650","10.1039/c6cp03034c","","","0.71073","MoKα","","0.1267","0.0578","","","0.1413","0.1753","","","","","","0.933","","","","has coordinates","185671","2020-10-21","18:00:00",""
"7225837","8.0806","0.0007","16.0141","0.0013","3.5431","0.0003","90","","101.206","0.001","90","","449.75","0.07","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.096Y0.904Ca4O(BO3)3","La0.096Y0.904COB","","- B6 Ca8 La0.18 O20 Y1.81 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","1","0.25","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0174","0.0172","","","0.041","0.0411","","","","","","0.767","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225838","8.1214","0.001","16.1024","0.0019","3.5623","0.0004","90","","101.211","0.001","90","","456.97","0.09","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.140Y0.860Ca4O(BO3)3","La0.140Y0.860COB","","- B3 Ca4.03 La0.11 O10 Y0.86 -","- B3 Ca4.029 La0.11 O10 Y0.861 -","- B6 Ca8.058 La0.22 O20 Y1.722 -","2","0.5","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0162","0.0158","","","0.0378","0.038","","","","","","0.757","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225839","3.8981","0.0003","13.3018","0.001","15.2307","0.0011","93.626","0.003","96.888","0.003","93.357","0.004","780.72","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H8 Br2 F4 O2 -","- C17 H8 Br2 F4 O2 -","- C34 H16 Br4 F8 O4 -","2","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.025","0.0209","","","0.0511","0.0529","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225840","17.0631","0.0012","4.1837","0.0003","24.5252","0.0019","90","","100.088","0.005","90","","1723.7","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H8 F4 I2 O2 -","- C17 H8 F4 I2 O2 -","- C68 H32 F16 I8 O8 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.0537","0.0355","","","0.0725","0.0795","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225841","6.44","0.0004","16.3764","0.001","12.5711","0.001","90","","93.626","0.002","90","","1323.14","0.16","150","0.5","150","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H34 N2 O4 S -","- C31 H34 N2 O4 S -","- C62 H68 N4 O8 S2 -","2","1","","Lee, Kang-Hyun; Lee, Seung-Heon; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Multi-functional supramolecular building blocks with hydroxy piperidino groups: new opportunities for developing nonlinear optical ionic crystals","CrystEngComm","2016","18","31","5832","","10.1039/C6CE00401F","","","0.71073","MoKα","","0.129","0.0581","","","0.1253","0.16","","","","","","1.122","","","","has coordinates","301865","2025-08-22","16:16:55",""
"7225842","8.435","0.006","11.431","0.008","17.048","0.012","105.141","0.014","92.907","0.018","104.043","0.016","1527.8","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.367","0.1381","","","0.301","0.4215","","","","","","0.912","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225843","8.6164","0.001","10.8765","0.0014","17.292","0.002","93.157","0.002","92.001","0.002","112.657","0.003","1490.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1136","0.0516","","","0.1169","0.1416","","","","","","1.002","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225844","8.5451","0.0015","10.8805","0.0019","17.346","0.003","94.925","0.003","91.831","0.003","111.868","0.003","1487.6","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.0891","0.0566","","","0.1358","0.1535","","","","","","1.057","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225845","8.482","0.0016","10.894","0.002","17.36","0.003","96.558","0.003","91.831","0.004","111.203","0.004","1481.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1159","0.0559","","","0.1352","0.1618","","","","","","1.004","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225846","8.44","0.002","10.918","0.003","17.372","0.004","98.412","0.004","92.041","0.004","109.825","0.005","1483.5","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C32.9978 H35.9976 O8.9994 -","- C65.9956 H71.9952 O17.9988 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1499","0.0707","","","0.1695","0.202","","","","","","1.038","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225847","8.37","0.003","10.992","0.004","17.276","0.006","101.552","0.005","92.358","0.006","107.262","0.006","1478.5","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1645","0.0757","","","0.1912","0.2287","","","","","","1.027","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225848","8.3738","0.0014","11.2351","0.0019","17.064","0.003","106.059","0.003","92.617","0.004","104.502","0.003","1482.1","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1333","0.0591","","","0.1459","0.1771","","","","","","0.982","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225849","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1075","0.0516","","","0.1169","0.1371","","","","","","1.024","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225850","8.3766","0.0014","11.2383","0.0018","17.082","0.003","106.072","0.004","92.601","0.003","104.599","0.003","1483.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1336","0.0559","","","0.1231","0.1551","","","","","","0.99","","","","has coordinates,has disorder","301865","2025-08-22","16:16:55",""
"7225851","7.5613","0.0002","18.8087","0.0003","11.8932","0.0002","90","","104.691","0.002","90","","1636.13","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H19 Cl N2 O2 Sn2 -","- C12 H19 Cl N2 O2 Sn2 -","- C48 H76 Cl4 N8 O8 Sn8 -","4","1","","Arjmand, F.; Sharma, S.; Usman, M.; Leu, B. M.; Hu, M. Y.; Toupet, L.; Gosztola, D.; Tabassum, S.","Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.","Physical chemistry chemical physics : PCCP","2016","18","27","17805","17809","10.1039/c6cp02914k","","x-ray","1.54184","CuKα","","0.0622","0.0604","","","0.1584","0.1624","","","","","","1.097","","","","has coordinates","185668","2020-10-21","18:00:00",""
"7225856","30.854","0.005","7.3079","0.0013","9.1538","0.0016","90","","103.466","0.003","90","","2007.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H36 N6 O7 -","- C14 H36 N6 O7 -","- C56 H144 N24 O28 -","4","0.5","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0339","0.0312","","","0.0822","0.0839","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225857","9.856","0.003","6.681","0.002","9.172","0.003","90","","108.778","0.004","90","","571.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperazine monohydrate","","","- C4 H12 N2 O -","- C4 H12 N2 O -","- C16 H48 N8 O4 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0363","0.0337","","","0.091","0.0936","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225858","8.163","0.002","18.627","0.005","5.9869","0.0017","90","","110.214","0.004","90","","854.3","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","piperazinium carbaxamide trihydrate","","","- C5 H16 N2 O5 -","- C5 H16 N2 O5 -","- C20 H64 N8 O20 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0277","0.0259","","","0.0624","0.0636","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225859","6.194","0.003","9.572","0.005","18.884","0.01","90","","90","","90","","1119.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 N4 O2 -","- C9 H20 N4 O2 -","- C36 H80 N16 O8 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0592","0.0435","","","0.0945","0.1016","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225860","10.5503","0.0006","8.933","0.0005","20.1876","0.001","90","","90.672","0.002","90","","1902.47","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N2 O8 S Tb -","- C19 H13 N2 O8 S Tb -","- C76 H52 N8 O32 S4 Tb4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0467","0.0349","","","0.0785","0.0848","","","","","","1.04","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225861","8.8357","0.0008","10.6784","0.0009","10.9831","0.0009","80.877","0.002","69.329","0.002","88.555","0.002","956.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 N2 O9 S Sm -","- C19 H15 N2 O9 S Sm -","- C38 H30 N4 O18 S2 Sm2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0313","0.0306","","","0.0795","0.08","","","","","","1.028","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225862","8.8196","0.0012","10.6527","0.0014","10.9383","0.0015","80.996","0.002","69.223","0.002","88.54","0.002","948.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Eu N2 O9 S -","- C19 H15 Eu N2 O9 S -","- C38 H30 Eu2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0491","0.0405","","","0.0919","0.1109","","","","","","1.071","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225863","8.8819","0.0006","10.7645","0.0007","11.2236","0.0007","80.093","0.001","69.851","0.001","88.74","0.001","991.58","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 La N2 O9 S -","- C19 H15 La N2 O9 S -","- C38 H30 La2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0339","0.0297","","","0.0732","0.0763","","","","","","0.896","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225864","11.2382","0.0012","11.7405","0.0011","14.0474","0.0013","108.24","0.002","91.419","0.002","113.675","0.002","1587.9","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 La N4 O9 S2 -","- C35 H24 La N4 O9 S2 -","- C70 H48 La2 N8 O18 S4 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0507","0.0411","","","0.0782","0.0833","","","","","","0.976","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225865","10.5998","0.0011","8.953","0.0009","20.265","0.002","90","","90.979","0.002","90","","1922.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Eu N2 O8 S -","- C19 H11 Eu N2 O8 S -","- C76 H44 Eu4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.095","0.0462","","","0.085","0.1026","","","","","","0.978","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225866","10.57","0.001","8.94","0.0009","20.224","0.002","90","","90.868","0.002","90","","1910.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Gd N2 O8 S -","- C19 H13 Gd N2 O8 S -","- C76 H52 Gd4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0778","0.0381","","","0.0713","0.0839","","","","","","0.999","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225867","4.8185","0.0004","10.7128","0.0009","10.5491","0.0009","90","","97.394","0.002","90","","540.01","0.08","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H6 N4 O2 Zn -","- C12 H6 N4 O2 Zn -","- C24 H12 N8 O4 Zn2 -","2","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0181","0.0175","","","0.0419","0.0422","","","","","","1.019","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225868","10.2092","0.0019","8.5034","0.0017","13.885","0.003","90","","98.655","0.005","90","","1191.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H6 Cd N4 O3 -","- C12 H6 Cd N4 O3 -","- C48 H24 Cd4 N16 O12 -","4","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0262","0.0204","","","0.0526","0.0561","","","","","","1.013","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225869","17.8204","0.0016","9.9753","0.0009","15.6487","0.0014","90","","90","","90","","2781.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H19 Mg N O10 -","- C8 H19 Mg N O10 -","- C64 H152 Mg8 N8 O80 -","8","2","","Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi","A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.","Physical chemistry chemical physics : PCCP","2016","18","30","20778","20783","10.1039/c6cp04132a","","","0.7749","synchrotron","","0.0526","0.0415","","","0.0929","0.0975","","","","","","1.03","","","","has coordinates,has disorder","185664","2020-10-21","18:00:00",""
"7225870","7.1443","0.0001","10.058","0.0002","16.3322","0.0011","90","","90.905","0.006","90","","1173.44","0.08","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 K Mg N O9 -","- C6 H12 K Mg N O9 -","- C24 H48 K4 Mg4 N4 O36 -","4","1","","Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi","A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.","Physical chemistry chemical physics : PCCP","2016","18","30","20778","20783","10.1039/c6cp04132a","","","0.71075","MoKα","","0.0424","0.0305","","","0.0682","0.0889","","","","","","1.182","","","","has coordinates","185664","2020-10-21","18:00:00",""
"7225877","30.559","0.002","15.545","0.0008","22.014","0.0016","90","","132.937","0.002","90","","7656","0.9","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B Ce4 K N4 O74 W12 -","- C28 H48 B Ce4 K N4 O74 W12 -","- C112 H192 B4 Ce16 K4 N16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0516","0.0478","","","0.1006","0.1023","","","","","","1.055","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225878","30.27","0.003","15.5104","0.0013","21.842","0.003","90","","132.839","0.001","90","","7519.5","1.4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 O74 Sm4 W12 -","- C28 H48 B K N4 O74 Sm4 W12 -","- C112 H192 B4 K4 N16 O296 Sm16 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0703","0.0647","","","0.1336","0.1375","","","","","","1.089","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225879","30.4412","0.0013","15.5369","0.0007","21.9253","0.001","90","","132.93","0.001","90","","7592.6","0.6","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 Nd4 O74 W12 -","- C28 H48 B K N4 Nd4 O74 W12 -","- C112 H192 B4 K4 N16 Nd16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0858","0.0672","","","0.127","0.1405","","","","","","1.041","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225880","16.9847","0.0011","24.2343","0.0016","36.286","0.002","90","","90","","90","","14935.8","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H58 B Ce3 N2 O77 W12 -","- C14 H58 B Ce3 N2 O77 W12 -","- C112 H464 B8 Ce24 N16 O616 W96 -","8","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0855","0.0514","","","0.1052","0.1225","","","","","","1.042","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225881","35.825","0.002","11.9982","0.0007","17.1452","0.0009","90","","90","","90","","7369.6","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H56 B N2 O75 Sm3 W12 -","- C14 H56 B N2 O75 Sm3 W12 -","- C56 H224 B4 N8 O300 Sm12 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0453","0.0378","","","0.0786","0.082","","","","","","1.034","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225882","36.263","0.002","12.0588","0.0007","16.972","0.001","90","","90","","90","","7421.7","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H60 B N2 Nd3 O77 W12 -","- C14 H60 B N2 Nd3 O77 W12 -","- C56 H240 B4 N8 Nd12 O308 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0467","0.0368","","","0.0773","0.0823","","","","","","1.022","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225883","12.9435","0.0017","13.19","0.0016","17.35","0.002","90","","96.085","0.002","90","","2945.4","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Br Cl3 O P -","- C32 H27 Br Cl3 O P -","- C128 H108 Br4 Cl12 O4 P4 -","4","1","","Liu, Shiyao; Suematsu, Naoki; Maruoka, Keiji; Shirakawa, Seiji","Design of bifunctional quaternary phosphonium salt catalysts for CO2fixation reaction with epoxides under mild conditions","Green Chem.","2016","18","17","4611","","10.1039/C6GC01630H","","","0.71075","MoKα","","0.0311","0.0253","","","0.0543","0.0567","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225884","8.8686","0.0003","6.9699","0.0003","27.0903","0.001","90","","98.69","0.003","90","","1655.32","0.11","294.9","0.3","294.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Zhenbei; Sun, Qiangsheng; Xu, Daqian; Xia, Chungu; Sun, Wei","Direct halogenative dearomatization of 2-naphthols by NXS (X = Cl, Br) in water","Green Chem.","2016","18","20","5485","","10.1039/C6GC01673A","","x-ray","0.71073","MoKα","","0.0868","0.0545","","","0.1229","0.1434","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225906","7.1752","0.0007","10.3078","0.001","12.3995","0.0012","86.613","0.002","87.488","0.002","71.906","0.002","869.89","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ethylene-9,9'-diadenine","9,9'-(1,2-ethanediyl)bis-9H-purin-6-amine tetra-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","1","0.5","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson–Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0506","0.0365","","","0.0818","0.0884","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225907","12.15","0.003","12.921","0.003","13.546","0.003","113.938","0.005","101.075","0.006","96.166","0.006","1866.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9-methyladenine dihexafluoro-2-propanol solvate","9-methyladenine di-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C12 H11 F12 N5 O2 -","- C12 H11 F12 N5 O2 -","- C48 H44 F48 N20 O8 -","4","2","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson–Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0991","0.056","","","0.1058","0.1211","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225908","16.1748","0.0018","7.7639","0.0009","7.539","0.0008","90","","91.191","0.002","90","","946.54","0.18","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BDHN-TTF","bis(4,5-dihydronaphto[1,2-d])tetrathiafulvalene","","- C22 H16 S4 -","- C22 H16 S4 -","- C44 H32 S8 -","2","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.0463","0.036","","","0.0985","0.1062","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225909","3.9274","0.0014","7.167","0.003","15.716","0.006","83.267","0.006","89.379","0.006","80.859","0.006","433.7","0.3","300","2","300","2","","","","","","","","3","P -1","-P 1","2","BN-TTF","bis(naphtho[1,2-d])tetrathiafulvalene","","- C22 H12 S4 -","- C22 H12 S4 -","- C22 H12 S4 -","1","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.1119","0.0492","","","0.098","0.1131","","","","","","0.968","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225922","3.8397","0.0019","16.676","0.008","20.455","0.01","90","","93.894","0.01","90","","1306.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O6 -","- C15 H14 O6 -","- C60 H56 O24 -","4","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","0.71073","MoKα","","0.1145","0.0862","","","0.1869","0.2022","","","","","","1.13","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225923","14.2812","0.0002","16.2445","0.0002","18.4229","0.0003","111.657","0.001","101.872","0.001","108.452","0.001","3506.82","0.1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H81 Fe2 N O26 -","- C45 H40 Fe2 O20 -","- C90 H80 Fe4 O40 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54184","CuKα","","0.0474","0.0393","","","0.1201","0.1244","","","","","","1.112","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225924","12.6126","0.0002","13.5051","0.0002","14.6564","0.0003","73.585","0.001","87.921","0.001","71.445","0.001","2266.3","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 Cd N3 O13 -","- C45 H41 Cd N3 O13 -","- C90 H82 Cd2 N6 O26 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54178","CuKα","","0.0374","0.0363","","","0.1041","0.1053","","","","","","1.091","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225941","14.7409","0.0005","15.3429","0.0006","22.1924","0.0008","90","","103.716","0.002","90","","4876.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H78 N16 O26 Zn6 -","- C72 H42 N12 O22 Zn6 -","- C144 H84 N24 O44 Zn12 -","2","1","","Meng, Pan Pan; Dang, Li Long; Zhang, Xiao Jing; Ma, Lu Fang; Li, Jian Qiang; Gong, Le Le; Zhang, Le; Meng, Li Na; Luo, Feng","A novel MOF showing a ring-like planar Zn6cluster and the coexistence of a single, double, and triple wall","CrystEngComm","2016","18","34","6336","","10.1039/C6CE01007E","","","0.71073","MoKα","","0.0803","0.0641","","","0.176","0.1827","","","","","","1.026","","","","has coordinates","186357","2020-10-21","18:00:00",""
"7225942","22.7475","0.0015","11.3014","0.0007","27.0251","0.0016","90","","104.181","0.006","90","","6735.9","0.7","120.02","0.16","120.02","0.16","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H13 Br Cl F3 N2 -","- C16 H13 Br Cl F3 N2 -","- C256 H208 Br16 Cl16 F48 N32 -","16","2","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.1118","0.066","","","0.1191","0.1368","","","","","","1.04","","","","has coordinates,has disorder","186448","2020-10-21","18:00:00",""
"7225943","16.4865","0.0009","10.7791","0.0005","13.0845","0.0008","90","","110.686","0.006","90","","2175.3","0.2","120","0.13","120","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Br I N2 -","- C9 H10 Br I N2 -","- C72 H80 Br8 I8 N16 -","8","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.0588","0.0432","","","0.0761","0.0819","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225944","16.7925","0.0007","8.3062","0.0004","15.0809","0.0007","90","","108.294","0.005","90","","1997.2","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 Br N2 -","- C9 H11 Br N2 -","- C72 H88 Br8 N16 -","8","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","","0.71073","MoKα","","0.0623","0.0442","","","0.0869","0.0961","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225945","7.4282","0.0007","14.952","0.0014","8.9188","0.0007","90","","94.547","0.009","90","","987.46","0.15","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br N2 -","- C9 H11 Br N2 -","- C36 H44 Br4 N8 -","4","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","1.54184","CuKα","","0.0849","0.0686","","","0.174","0.1896","","","","","","1.086","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225946","3.9883","0.0006","17.853","0.002","11.2011","0.0012","90","","91.622","0.011","90","","797.23","0.17","120.01","0.16","120.01","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br N2 -","- C8 H7 Br N2 -","- C32 H28 Br4 N8 -","4","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","1.54184","CuKα","","0.0797","0.0667","","","0.173","0.1847","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225947","6.0553","0.0004","14.8323","0.001","12.439","0.001","90","","103.295","0.008","90","","1087.25","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br I N2 -","- C8 H8 Br I N2 -","- C32 H32 Br4 I4 N8 -","4","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.0602","0.0401","","","0.0692","0.0781","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225948","11.0563","0.0012","11.1805","0.0012","12.0711","0.0012","98.874","0.009","103.353","0.009","103.781","0.009","1375","0.3","120","0.11","120","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br Cl F3 N2 -","- C12 H11 Br Cl F3 N2 -","- C48 H44 Br4 Cl4 F12 N8 -","4","2","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.1488","0.0758","","","0.1163","0.15","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225949","12.0869","0.0014","8.1608","0.001","19.776","0.003","90","","102.192","0.012","90","","1906.7","0.4","120.01","0.15","120.01","0.15","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H6 Cl F3 N2 -","- C9 H6 Cl F3 N2 -","- C72 H48 Cl8 F24 N16 -","8","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.1075","0.0707","","","0.1274","0.1426","","","","","","1.091","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225950","24.304","0.002","24.304","0.002","6.8579","0.0005","90","","90","","120","","3508.1","0.5","119.99","0.14","119.99","0.14","","","","","","","","4","R -3","-R 3","148","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C144 H126 N54 O36 -","18","","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.0713","0.052","","","0.1218","0.1324","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225972","8.1989","0.0016","12.206","0.002","10.024","0.002","90","","102.81","0.03","90","","978.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N9 O0 Zn -","- C6 H8 N9 Zn -","- C24 H32 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0695","0.0629","","","0.1848","0.1964","","","","","","1.109","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225973","27.148","0.004","27.148","0.004","9.957","0.003","90","","90","","120","","6355","2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 Cd3 Cl2 N18 -","- C8 H10 Cd3 Cl2 N18 -","- C72 H90 Cd27 Cl18 N162 -","9","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0238","0.0211","","","0.0553","0.0569","","","","","","1.07","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225974","7.7738","0.0005","14.0313","0.0009","10.2395","0.0007","90","","100.987","0.002","90","","1096.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Mn2 N18 O6 -","- C8 H22 Mn2 N18 O6 -","- C16 H44 Mn4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0402","0.0326","","","0.0777","0.0821","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225975","7.776","0.004","13.987","0.006","8.352","0.004","90","","101.601","0.011","90","","889.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N9 Zn -","- C4 H5 N9 Zn -","- C16 H20 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0721","0.0488","","","0.1113","0.119","","","","","","0.986","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225976","7.7937","0.0006","14.2172","0.0012","10.3075","0.0008","90","","100.571","0.002","90","","1122.73","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cd2 N18 O6 -","- C8 H22 Cd2 N18 O6 -","- C16 H44 Cd4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0283","0.0243","","","0.0605","0.0629","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225977","21.6492","0.0007","9.9528","0.0003","8.4146","0.0003","90","","105.597","0.001","90","","1746.33","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cd2 N18 O -","- C8 H12 Cd2 N18 O -","- C32 H48 Cd8 N72 O4 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0227","0.0222","","","0.0639","0.0644","","","","","","1.071","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225978","6.8924","0.0003","10.06","0.0004","19.7902","0.0008","90","","90","","90","","1372.2","0.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N12 Zn2 -","- C6 H8 Cl N12 Zn2 -","- C24 H32 Cl4 N48 Zn8 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0354","0.0294","","","0.0757","0.0792","","","","","","1.043","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225979","13.4767","0.0015","7.5845","0.0009","12.9148","0.0014","90","","99.542","0.002","90","","1301.8","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H15 Cd N9 O3 -","- C6 H15 Cd N9 O3 -","- C24 H60 Cd4 N36 O12 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0182","0.0181","","","0.0479","0.048","","","","","","1.184","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225980","10.6856","0.0006","7.3274","0.0004","18.8986","0.0011","90","","105.776","0.001","90","","1423.98","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cd2 N10 O5 -","- C6 H12 Cd2 N10 O5 -","- C24 H48 Cd8 N40 O20 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0181","0.0164","","","0.0369","0.0374","","","","","","1.1","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225981","8.0251","0.0004","10.0806","0.0006","12.6959","0.0007","89.821","0.0017","81.4586","0.0015","79.9673","0.0016","999.87","0.1","173","","173","2","","","","","","","","6","P -1","-P 1","2","","(anilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H44 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","1","0.5","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","0.0458","0.0425","","","0.1068","0.112","","","","","","1.158","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225982","13.4658","0.0006","19.0314","0.001","24.7402","0.001","77.941","0.006","77.593","0.006","81.569","0.006","6021.1","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","(m-fluoroanilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H43 F N Ni O6 S10 -","- C32 H43 F N Ni O6 S10 -","- C192 H258 F6 N6 Ni6 O36 S60 -","6","3","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","","0.0744","","","","0.2437","","","","","","1.06","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225986","29.353","0.0006","29.353","0.0006","16.1124","0.0004","90","","90","","90","","13882.4","0.5","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C83 H140 N8 Ni8 O59 -","- C83 H56 N8 Ni8 O59 -","- C332 H224 N32 Ni32 O236 -","4","","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71073","MoKα","","0.172","0.094","","","0.2893","0.3578","","","","","","1.196","","","","has coordinates,has disorder","186345","2020-10-21","18:00:00",""
"7225987","19.086","0.0016","18.084","0.0017","15.847","0.0015","90","","107.522","0.004","90","","5215.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl2 Cu4 N4 O28 -","- C43 H56 Cl2 Cu4 N4 O28 -","- C172 H224 Cl8 Cu16 N16 O112 -","4","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71069","MoKα","","0.0959","0.0535","","","0.1205","0.1394","","","","","","1.026","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7225988","7.2984","0.0001","16.7188","0.0003","20.5514","0.0003","90","","90","","90","","2507.69","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Br O2 -","- C26 H27 Br O2 -","- C104 H108 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0668","0.0535","","","0.1376","0.1455","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225989","7.343","0.0002","17.039","0.0004","20.654","0.005","90","","90","","90","","2584.2","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I O2 -","- C26 H27 I O2 -","- C104 H108 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0676","0.0506","","","0.1275","0.1393","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225990","6.4755","0.0002","16.0635","0.0003","22.8738","0.0003","90","","90","","90","","2379.31","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I O2 -","- C27 H31 I O2 -","- C108 H124 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0503","0.0419","","","0.1029","0.1079","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225991","6.396","","16.289","","22.678","","90","","90","","90","","2362.7","","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Br Ca0 F O2 -","- C27 H30 Br F O2 -","- C108 H120 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.096","0.0667","","","0.1679","0.1897","","","","","","1.03","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225992","7.3624","0.0001","16.7118","0.0003","20.7142","0.0004","90","","90","","90","","2548.65","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Br F2 O2 -","- C26 H25 Br F2 O2 -","- C104 H100 Br4 F8 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.053","0.0435","","","0.1105","0.1156","","","","","","1.056","","","","has coordinates,has disorder","301865","2025-08-22","16:17:03",""
"7225993","7.2612","0.0003","15.8845","0.0006","19.4007","0.0004","90","","90","","90","","2237.69","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br F O2 -","- C26 H29 Br F O2 -","- C104 H116 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0996","0.0532","","","0.1216","0.1422","","","","","","1.017","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225994","20.978","","6.314","","23.951","","90","","106.06","","90","","3048.62","","173","2","173","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C35 H47 I O3 -","- C35 H47 I O3 -","- C140 H188 I4 O12 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0667","0.0411","","","0.075","0.0846","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225995","6.3045","0.0001","16.0693","0.0004","22.117","0.0006","90","","90","","90","","2240.65","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 I O2 -","- C26 H29 I O2 -","- C104 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0482","0.0373","","","0.0796","0.0846","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225996","7.7512","0.0016","14.839","0.003","20.627","0.004","90","","90","","90","","2372.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br O2 -","- C28 H28 Br O2 -","- C112 H112 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.2076","0.124","","","0.3187","0.3645","","","","","","1.034","","","","has coordinates,has disorder","301865","2025-08-22","16:17:03",""
"7225997","6.5925","0.0001","22.2328","0.0006","10.2751","0.0002","90","","100.232","0.001","90","","1482.07","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Br O3 -","- C34 H36 Br O3 -","- C68 H72 Br2 O6 -","2","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0552","0.0393","","","0.0845","0.0924","","","","","","1.049","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225998","6.6335","0.0001","16.6143","0.0004","21.5766","0.0004","90","","90","","90","","2377.98","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 I O2 -","- C27 H29 I O2 -","- C108 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.093","0.0491","","","0.0942","0.1093","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7225999","7.9321","0.0002","14.7305","0.0003","27.7895","0.0006","90","","90","","90","","3247.03","0.13","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ce N4 O11 -","- C12 H11 Ce N4 O11 -","- C96 H88 Ce8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0388","0.0223","","","0.0402","0.0425","","","","","","1.003","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226000","7.9559","0.0005","14.7492","0.0008","27.8802","0.0018","90","","90","","90","","3271.6","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 La N4 O11 -","- C12 H11 La N4 O11 -","- C96 H88 La8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0579","0.031","","","0.0446","0.0499","","","","","","1.01","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226032","21.9466","0.0017","9.4061","0.0007","20.0971","0.0015","90","","117.266","0.0008","90","","3687.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N6 Ni2 O12 -","- C34 H38 N6 Ni2 O12 -","- C136 H152 N24 Ni8 O48 -","4","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0866","0.0638","","","0.1672","0.1867","","","","","","1.038","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226033","11.2195","0.0018","13.111","0.002","13.874","0.002","77.375","0.002","73.49","0.002","74.612","0.002","1863.8","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N6 Ni2 O13 -","- C34 H39 N6 Ni2 O13 -","- C68 H78 N12 Ni4 O26 -","2","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0792","0.0517","","","0.1181","0.1299","","","","","","0.988","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226034","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.0931","0.058","","","0.1349","0.1553","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226035","26.818","0.006","6.8919","0.0008","9.7465","0.0012","90","","100.459","0.017","90","","1771.5","0.5","293","","293","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.1426","0.079","","","0.2134","0.2549","","","","","","1.06","","","","has coordinates,has disorder","301865","2025-08-22","16:17:03",""
"7226036","10.9266","0.0009","18.0002","0.001","18.562","0.002","90","","96.911","0.01","90","","3624.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 Co3 N4 O26 -","- C70 H70 Co3 N4 O26 -","- C140 H140 Co6 N8 O52 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.1405","0.1004","","","0.2714","0.3057","","","","","","1.061","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226037","16.7644","0.0003","17.8611","0.0002","16.4068","0.0002","90","","113.298","0.002","90","","4512.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H89 Cd3 N3 O44 -","- C54 H30 Cd3 O22 -","- C108 H60 Cd6 O44 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0646","0.0583","","","0.184","0.1912","","","","","","1.093","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226038","10.2193","0.0006","11.1861","0.0005","16.235","0.0007","95.006","0.001","91.712","0.002","112.69","0.001","1701.64","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","1","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","0.71073","MoKα","","0.1147","0.05","","","0.1157","0.16","","","","","","1.031","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226039","12.2813","0.0002","27.3205","0.0004","16.465","0.0002","90","","102.863","0.001","90","","5385.89","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H62 N4 O15 Zn2 -","- C47 H59 N4 O15 Zn2 -","- C188 H236 N16 O60 Zn8 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0791","0.0687","","","0.2085","0.2204","","","","","","1.045","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226049","9.397","0.001","13.751","0.001","16.804","0.001","90","","95.736","0.001","90","","2160.5","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0312","0.0278","","","0.0645","0.066","","","","","","0.972","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226050","9.427","0.001","13.785","0.001","16.814","0.001","90","","95.667","0.001","90","","2174.3","0.3","400","2","400","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0572","0.0414","","","0.0945","0.1037","","","","","","0.877","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226051","9.45","0.001","13.796","0.001","16.753","0.001","90","","95.654","0.002","90","","2173.5","0.3","473","2","473","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.1033","0.0733","","","0.1806","0.21","","","","","","0.949","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226057","6.6884","0.0005","7.6318","0.0006","12.9438","0.0011","90","","100.414","0.002","90","","649.83","0.09","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8 in manuscript","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Tšupova, Svetlana; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.","Synthesis of phenols from hydroxymethylfurfural (HMF)","Green Chem.","2016","18","21","5800","","10.1039/C6GC01622G","","","0.71073","MoKα","","0.0551","0.0421","","","0.1313","0.1366","","","","","","1.183","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226058","4.5985","0.0006","20.751","0.003","10.2612","0.0013","90","","91.893","0.003","90","","978.6","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9 in manuscript","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Tšupova, Svetlana; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.","Synthesis of phenols from hydroxymethylfurfural (HMF)","Green Chem.","2016","18","21","5800","","10.1039/C6GC01622G","","","0.71073","MoKα","","0.0498","0.0417","","","0.1264","0.131","","","","","","1.206","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226081","8.7424","0.0003","11.0479","0.0004","13.085","0.0004","71.61","0.003","83.241","0.003","85.831","0.003","1190.09","0.07","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Ag F6 N12 P -","- C16 H24 Ag F6 N12 P -","- C32 H48 Ag2 F12 N24 P2 -","2","1","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0452","0.0391","","","0.0912","0.0967","","","","","","1.032","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226082","9.4022","0.0005","9.0007","0.0006","21.7341","0.0012","90","","95.977","0.005","90","","1829.28","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C48 H72 Ag4 B4 F16 N36 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0856","0.0769","","","0.2059","0.2168","","","","","","1.074","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226083","9.33","0.0007","8.9872","0.0007","22.964","0.002","90","","97.11","0.007","90","","1910.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 F12 N18 P2 -","- C24 H36 Ag2 F12 N18 P2 -","- C48 H72 Ag4 F24 N36 P4 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","1.54184","CuKα","","0.1338","0.1082","","","0.275","0.2995","","","","","","1.07","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226084","5.5307","0.0003","13.1818","0.0007","12.0644","0.0006","90","","94.618","0.005","90","","876.69","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag2 N8 O6 -","- C10 H16 Ag2 N8 O6 -","- C20 H32 Ag4 N16 O12 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","0.71073","MoKα","","0.0425","0.0343","","","0.0743","0.0806","","","","","","1.069","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226085","7.5701","0.0003","10.994","0.0005","12.2207","0.0006","110.593","0.004","98.841","0.004","103.512","0.004","894.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","1","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","0.71073","MoKα","","0.0742","0.0618","","","0.1484","0.1612","","","","","","1.029","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226091","17.3383","0.0007","7.7724","0.0003","15.5015","0.0006","90","","90","","90","","2088.99","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 N4 O9 Zn2 -","- C22 H16 N4 O9 Zn2 -","- C88 H64 N16 O36 Zn8 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0303","0.0291","","","0.0838","0.0852","","","","","","1.064","","","","has coordinates,has disorder","187041","2020-10-21","18:00:00",""
"7226092","17.3409","0.0006","7.7719","0.0003","15.5112","0.0006","90","","90","","90","","2090.47","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Mn2 N4 O9 -","- C22 H12 Mn2 N4 O9 -","- C88 H48 Mn8 N16 O36 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.054","0.0531","","","0.1665","0.1679","","","","","","1.116","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226093","15.2246","0.0008","7.3657","0.0004","16.7773","0.0009","90","","106.831","0.002","90","","1800.81","0.17","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H28 N8 O11 Zn2 -","- C34 H28 N8 O11 Zn2 -","- C68 H56 N16 O22 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0631","0.0419","","","0.1152","0.1245","","","","","","1.03","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226094","7.3222","0.0003","25.5967","0.001","10.3654","0.0004","90","","99.32","0.001","90","","1917.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N4 Ni O8 -","- C17 H19 N4 Ni O8 -","- C68 H76 N16 Ni4 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0344","0.0325","","","0.0773","0.0785","","","","","","1.035","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226095","15.566","0.003","6.9981","0.0014","17.643","0.004","90","","107.99","0.03","90","","1827.9","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H27 N8 O9 Zn2 -","- C36 H27 N8 O9 Zn2 -","- C72 H54 N16 O18 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0526","0.0394","","","0.1039","0.1115","","","","","","1.038","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226096","29.9762","0.0012","6.7809","0.0003","21.3475","0.0009","90","","121.734","0.001","90","","3690.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cd N4 O6 -","- C18 H17 Cd N4 O6 -","- C144 H136 Cd8 N32 O48 -","8","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0288","0.0256","","","0.0728","0.0839","","","","","","1.067","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226097","16.7407","0.0006","9.5561","0.0003","16.5918","0.0006","90","","90.525","0.003","90","","2654.18","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N4 O18 -","- C20 H30 N4 O18 -","- C80 H120 N16 O72 -","4","0.5","","Kerr, Hannah E.; Mason, Helen E.; Sparkes, Hazel A.; Hodgkinson, Paul","Testing the limits of NMR crystallography: the case of caffeine‒citric acid hydrate","CrystEngComm","2016","18","35","6700","","10.1039/C6CE01453D","","","0.71073","MoKα","","0.063","0.0457","","","0.1","0.1108","","","","","","1.05","","","","has coordinates,has disorder","186351","2020-10-21","18:00:00",""
"7226098","7.8642","0.0008","4.0675","0.0003","14.5155","0.0013","90","","96.896","0.008","90","","460.96","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl (2R,5S,E)-2,5-dihydroxyhex-3-enedioate","","- C8 H12 O6 -","- C8 H12 O6 -","- C16 H24 O12 -","2","0.5","","Sølvhøj, Amanda; Taarning, Esben; Madsen, Robert","Methyl vinyl glycolate as a diverse platform molecule","Green Chem.","2016","18","20","5448","","10.1039/C6GC01556E","","x-ray","1.54184","CuKα","","0.06","0.0553","","","0.1654","0.1685","","","","","","1.268","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226109","7.5357","0.0006","17.1542","0.0011","10.8286","0.0009","90","","102.802","0.009","90","","1365","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MP(DNP)","2,4-dinitrophenol-1-methylpiperidine (1:1)","","- C12 H17 N3 O5 -","- C12 H17 N3 O5 -","- C48 H68 N12 O20 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.0976","0.057","","","0.1283","0.1521","","","","","","1.025","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226110","3.8269","0.0004","15.7916","0.0015","17.2303","0.0016","90","","91.29","","90","","1041.01","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-(naphthalen-1-ylmethylene)malononitrile","2-(naphthalen-1-ylmethylene)malononitrile","","- C14 H8 N2 -","- C14 H8 N2 -","- C56 H32 N8 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.08","0.046","","","0.101","0.1224","","","","","","0.986","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226111","9.271","0.005","8.507","0.005","21.337","0.005","90","0.005","93.69","0.005","90","0.005","1679.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-Chromene","ethyl 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.146","0.0876","","","0.236","0.2815","","","","","","1.061","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226121","4.697","0.0005","17.069","0.002","4.6127","0.0004","90","","90","","90","","369.81","0.07","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Bi2 Ca -","- Bi2 Ca -","- Bi8 Ca4 -","4","0.25","","Winiarski, M.J.; Wiendlocha, B.; Golab, S.; Kushwaha, S.K.; Wisniewski, P.; Kaczorowski, D.; Thompson, J.D.; Cava, R.J.; Klimczuk, T.","Superconductivity in CaBi2","Physical Chemistry Chemical Physics","2016","18","","21737","21745","10.1039/C6CP02856J","","","","","","0.1057","","","","","","","","","","","","","","","has coordinates,has Fobs","184841","2020-10-21","18:00:00",""
"7226122","11.8183","0.0006","7.9251","0.0004","8.957","0.0005","90","","90.047","0.003","90","","838.92","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C28 H28 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0461","0.0369","","","0.0899","0.0952","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226123","21.4515","0.0004","8.4446","0.0001","8.9977","0.0001","90","","90","","90","","1629.93","0.04","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C56 H56 I8 N16 O8 -","8","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.071","0.0465","","","0.136","0.152","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226124","4.6211","0.0007","5.2775","0.0008","16.932","0.003","90","","96.344","0.002","90","","410.41","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C14 H14 I2 N4 O2 -","2","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.015","0.0148","","","0.0358","0.0359","","","","","","1.103","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226125","12.7772","0.0011","5.1405","0.0004","20.7792","0.0016","90","","99.085","0.005","90","","1347.68","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0467","0.0395","","","0.077","0.0793","","","","","","1.186","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226126","21.0485","0.0013","4.6303","0.0003","12.8294","0.0007","90","","102.835","0.004","90","","1219.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0492","0.0411","","","0.0691","0.0713","","","","","","1.225","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226127","12.6626","0.0017","7.0591","0.001","15.395","0.002","90","","94.006","0.002","90","","1372.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0568","0.0484","","","0.1309","0.1354","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226128","27.607","0.006","4.6224","0.0011","9.75","0.002","90","","93.235","0.003","90","","1242.2","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F I N2 O -","- C13 H10 F I N2 O -","- C52 H40 F4 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0409","0.0316","","","0.0792","0.0834","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226129","12.481","0.002","9.9446","0.0016","23.867","0.004","90","","96.736","0.002","90","","2941.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C112 H104 I8 N16 O8 S8 -","8","2","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0643","0.0567","","","0.1265","0.13","","","","","","1.181","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226130","8.1518","0.0006","18.2688","0.0013","9.5334","0.0007","90","","93.672","0.001","90","","1416.83","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C56 H52 I4 N8 O4 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0268","0.0258","","","0.058","0.0584","","","","","","1.228","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226131","14.2167","0.0019","14.5308","0.0018","6.8955","0.001","90","","90","","90","","1424.5","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H10 I N3 O2 S -","- C13 H10 I N3 O2 S -","- C52 H40 I4 N12 O8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0334","0.0316","","","0.0701","0.0709","","","","","","1.159","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226132","15.3895","0.0012","5.4985","0.0005","17.1612","0.0015","90","","116.18","0.004","90","","1303.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0639","0.0549","","","0.1094","0.1126","","","","","","1.24","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226133","26.18","0.0017","4.6273","0.0003","9.9779","0.0007","90","","91.646","0.003","90","","1208.25","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0385","0.0274","","","0.0853","0.1324","","","","","","1.187","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226134","27.253","0.005","4.6408","0.0009","9.8532","0.0018","90","","91.991","0.006","90","","1245.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","1.54178","CuKα","","0.0717","0.057","","","0.1608","0.1728","","","","","","1.15","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226135","13.5715","0.0005","15.217","0.0005","24.985","0.0009","77.706","0.003","89.786","0.003","73.329","0.003","4820.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 Ag4 N14 O63 P2 W18 -","- C42 Ag4 N14 O63 P2 W18 -","- C84 Ag8 N28 O126 P4 W36 -","2","1","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.1398","0.101","","","0.2767","0.3106","","","","","","1.057","","","","has coordinates,has disorder","187055","2020-10-21","18:00:00",""
"7226136","27.2878","0.0014","14.5549","0.0005","24.4249","0.0012","90","","115.836","0.006","90","","8731.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N12 O62 P2 W18 -","- C36 H28 N12 O62 P2 W18 -","- C144 H112 N48 O248 P8 W72 -","4","0.5","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.0555","0.0394","","","0.095","0.1043","","","","","","1.086","","","","has coordinates","187055","2020-10-21","18:00:00",""
"7226142","23.7111","0.0004","23.7111","0.0004","46.9783","0.0007","90","","90","","90","","26412","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.144","0.0901","","","0.2552","0.2795","","","","","","0.95","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226143","23.68444","0.00016","23.68444","0.00016","46.9716","0.0004","90","","90","","90","","26348.8","0.3","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.1171","0.0894","","","0.2652","0.2836","","","","","","1.035","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226144","23.88216","0.00009","23.88216","0.00009","46.8514","0.0003","90","","90","","90","","26722.1","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C1016 H1104 Cl48 Co16 N128 O40 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.0954","0.0913","","","0.256","0.2615","","","","","","1.051","","","","has coordinates","185039","2020-10-21","18:00:00",""
"7226145","10.133","0.003","6.7797","0.0017","13.077","0.003","90","","91.44","0.02","90","","898.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br Hg I2 N3 O -","- C15 H10 Br Hg I2 N3 O -","- C30 H20 Br2 Hg2 I4 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0903","0.0718","","","0.1856","0.199","","","","","","1.099","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226146","9.8327","0.0014","6.6591","0.0013","12.8974","0.0017","90","","91.698","0.011","90","","844.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br3 Hg N3 O -","- C15 H10 Br3 Hg N3 O -","- C30 H20 Br6 Hg2 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0952","0.0906","","","0.171","0.192","","","","","","1.149","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226147","7.8032","0.0007","9.6586","0.0009","11.4038","0.0011","78.367","0.007","81.78","0.007","76.496","0.007","814.39","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br Cl2 Hg N3 O -","- C15 H10 Br Cl2 Hg N3 O -","- C30 H20 Br2 Cl4 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0704","0.041","","","0.1046","0.1101","","","","","","1.191","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226148","5.1029","0.0007","13.9355","0.0014","18.293","0.003","90","","92.318","0.011","90","","1299.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br N3 O -","- C15 H10 Br N3 O -","- C60 H40 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.091","0.085","","","0.1569","0.1962","","","","","","1.194","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226149","5.0499","0.0007","13.8172","0.0011","18.221","0.002","90","","93.432","0.01","90","","1269.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl N3 O -","- C15 H10 Cl N3 O -","- C60 H40 Cl4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.1609","0.0989","","","0.1368","0.1555","","","","","","1.201","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226150","8.5716","0.0007","9.8507","0.0009","11.6901","0.001","103.615","0.007","103.475","0.007","102.305","0.007","894.64","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Cl Hg I2 N3 O -","- C15 H10 Cl Hg I2 N3 O -","- C30 H20 Cl2 Hg2 I4 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0914","0.0763","","","0.1888","0.2029","","","","","","1.044","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226151","7.8587","0.0009","9.8104","0.001","11.5257","0.0013","76.986","0.008","80.953","0.009","75.314","0.009","832.75","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br2 Cl Hg N3 O -","- C15 H10 Br2 Cl Hg N3 O -","- C30 H20 Br4 Cl2 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0756","0.0479","","","0.0975","0.1078","","","","","","1.049","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226152","7.7489","0.0011","9.6446","0.0012","11.3533","0.0013","77.812","0.009","81.537","0.01","76.841","0.01","803.2","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl3 Hg N3 O -","- C15 H10 Cl3 Hg N3 O -","- C30 H20 Cl6 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0625","0.0481","","","0.1119","0.1183","","","","","","1.085","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226153","4.8886","0.0011","6.6448","0.0015","13.171","0.003","90","","96.305","0.005","90","","425.26","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Cu K2 O8 -","- C4 Cu K2 O8 -","- C8 Cu2 K4 O16 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0367","0.0332","","","0.0753","0.0768","","","","","","1.174","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226154","6.904","0.002","8.66","0.003","8.929","0.003","107.95","0.004","99.637","0.004","97.637","0.004","490.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 Cu K2 O10 -","- C4 H4 Cu K2 O10 -","- C8 H8 Cu2 K4 O20 -","2","1","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.029","0.0283","","","0.0774","0.0781","","","","","","1.075","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226155","3.7345","0.0007","14.764","0.003","10.742","0.002","90","","93.23","0.03","90","","591.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cu K2 O12 -","- C4 H8 Cu K2 O12 -","- C8 H16 Cu2 K4 O24 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0333","0.0304","","","0.0623","0.064","","","","","","1.132","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226156","8.094","0.002","8.186","0.002","13.626","0.004","104.044","0.015","92.51","0.015","99.071","0.014","861.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-diethylphosphono-4'-biphenyl carboxylic acid methyl ester","","- C18 H21 O5 P -","- C18 H21 O5 P -","- C36 H42 O10 P2 -","2","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0719","0.0595","","","0.1632","0.175","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226157","5.2848","0.0012","8.1031","0.0018","27.371","0.006","90","","91.766","0.012","90","","1171.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H9 O5 P Zn -","- C13 H9 O5 P Zn -","- C52 H36 O20 P4 Zn4 -","4","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.083","0.0681","","","0.152","0.163","","","","","","1.053","","","","has coordinates,has disorder","185042","2020-10-21","18:00:00",""
"7226158","59.003","0.011","5.4907","0.0009","7.8375","0.0012","90","","93.644","0.009","90","","2534","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Hg O5 P -","- C13 H10 Hg O5 P -","- C104 H80 Hg8 O40 P8 -","8","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0932","0.0699","","","0.1646","0.1763","","","","","","1.03","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226159","32.838","0.012","5.3763","0.0019","7.913","0.003","90","","103.531","0.011","90","","1358.2","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 O14 P2 Zn5 -","- C26 H20 O14 P2 Zn5 -","- C52 H40 O28 P4 Zn10 -","2","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.051","0.0412","","","0.0819","0.0851","","","","","","1.011","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226160","6.0355","0.0004","7.298","0.0004","27.8833","0.0018","90","","90","","90","","1228.18","0.13","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C56 H44 I4 O8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0306","0.0287","","","0.0681","0.0687","","","","","","1.11","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226161","9.3961","0.0007","9.545","0.0007","27.323","0.0019","90","","90","","90","","2450.5","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H16 Cd3 O10 P2 -","- C26 H16 Cd3 O10 P2 -","- C104 H64 Cd12 O40 P8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0322","0.032","","","0.0772","0.0773","","","","","","1.128","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226162","8.6093","0.0004","9.1855","0.0004","9.5881","0.0004","94.55","0.001","94.069","0.001","96.684","0.001","748.24","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Complex 1","","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","1","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.037","0.0362","","","0.143","0.1439","","","","","","1.338","","","","has coordinates,has disorder","185043","2020-10-21","18:00:00",""
"7226163","20.232","0.004","9.072","0.0018","16.015","0.003","90","","116.84","0.03","90","","2622.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Complex 2","","- C10 H12 K O16 Tb -","- C10 H12 K O16 Tb -","- C40 H48 K4 O64 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.0495","0.0481","","","0.1724","0.1771","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226164","9.483","0.0019","13.725","0.003","14.272","0.003","90","","105.18","0.03","90","","1792.7","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Complex 3","","- C12 H16 N O15 Tb -","- C12 H16 N O15 Tb -","- C48 H64 N4 O60 Tb4 -","4","1","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.039","0.0387","","","0.1057","0.106","","","","","","1.116","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226165","16.031","0.003","12.505","0.003","8.4522","0.0017","90","","90","","90","","1694.4","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","Complex 4","","- C10 H14 K O17 Tb -","- C10 H14 K O17 Tb -","- C40 H56 K4 O68 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.0272","0.0227","","","0.0469","0.0489","","","","","","0.897","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226166","7.3614","0.0018","13.234","0.004","13.939","0.004","106.77","0.04","104.9","0.04","98.84","0.04","1217.8","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C24 H68 N8 O32 S4 Zn2 -","2","1","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0367","0.0299","","","0.0757","0.079","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226167","7.3453","0.0018","12.594","0.004","20.074","0.006","80.6","0.03","83.38","0.03","89.56","0.03","1819.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C36 H102 N12 O48 S6 Zn3 -","3","1.5","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0526","0.0407","","","0.1078","0.1117","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226168","10.4863","0.0014","14.79","0.002","10.8544","0.0015","90","","116.161","0.002","90","","1511","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C52 H48 Cl8 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0223","0.0183","","","0.0403","0.0418","","","","","","1.032","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226169","9.0862","0.0004","9.3122","0.0004","11.5175","0.0005","84.905","0.001","72.809","0.001","62.775","0.001","826.61","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetranitratobis(2-acetylpyridylnicotinylhydrozone)dilead(II))","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C26 H24 N12 O14 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0198","0.0192","","","0.0484","0.0487","","","","","","1.079","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226170","7.5527","0.0002","14.5337","0.0005","16.8369","0.0004","102.817","0.002","94.897","0.002","98.141","0.002","1770.85","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N12 O2 Pb2 S4 -","- C30 H24 N12 O2 Pb2 S4 -","- C60 H48 N24 O4 Pb4 S8 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0344","0.0248","","","0.0425","0.0454","","","","","","1.059","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226171","7.8658","0.0007","8.6864","0.0007","11.002","0.0009","100.321","0.004","92.891","0.005","95.189","0.004","734.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C26 H24 Cl4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0182","0.0172","","","0.0434","0.0439","","","","","","1.034","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226172","9.0537","0.0003","23.1055","0.0008","7.8698","0.0003","90","","98.458","0.001","90","","1628.38","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C52 H48 N24 O28 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal–organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0437","0.029","","","0.0507","0.0538","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226173","8.6135","0.0004","9.3532","0.0007","11.1952","0.001","87.356","0.007","87.566","0.005","82.906","0.005","893.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 N6 O Pb S2 -","- C15 H12 N6 O Pb S2 -","- C30 H24 N12 O2 Pb2 S4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","x-ray","0.71073","MoKα","","0.0363","0.0319","","","0.0773","0.0793","","","","","","1.147","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226174","13.6811","0.0011","11.8839","0.0012","7.3549","0.0006","90","","90","","90","","1195.8","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.","Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.","Physical chemistry chemical physics : PCCP","2016","18","35","24332","24342","10.1039/c6cp04219h","","","0.7107","MoKα","","0.063","0.0535","","","0.13","0.1403","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226175","8.3642","0.0005","7.8279","0.0005","20.8234","0.0014","90","","90.819","0.006","90","","1363.25","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.","Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.","Physical chemistry chemical physics : PCCP","2016","18","35","24332","24342","10.1039/c6cp04219h","","","0.71073","MoKα","","0.09","0.0694","","","0.2087","0.222","","","","","","1.147","","","","has coordinates","301865","2025-08-22","16:17:03",""
"7226185","17.988","0.0009","10.6195","0.0005","10.8053","0.0005","90","","123.369","0.002","90","","1723.8","0.15","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.01","0.01","","","0.0114","0.0114","","","","","","1.984","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226186","17.781","0.0019","9.6259","0.001","11.3461","0.0012","90","","125.714","0.002","90","","1576.8","0.3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-perfluoropyridyl-1,2,3,5-dithiadiazolyl","","- C6 F4 N3 S2 -","- C6 F4 N3 S2 -","- C48 F32 N24 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.0195","0.0133","","","0.0174","0.0177","","","","","","0.926","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226187","7.794","0.002","9.057","0.003","9.169","0.003","90.38","0.03","91.24","0.02","107.59","0.02","616.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 N4 O7 Zn2 -","- C9 H7 N4 O7 Zn2 -","- C18 H14 N8 O14 Zn4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0613","0.0472","","","0.1129","0.1192","","","","","","1.04","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226188","11.2006","0.0016","11.1967","0.0016","18.5221","0.0018","90","","121.7","0.006","90","","1976.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N6 O5 Pb -","- C21 H14 N6 O5 Pb -","- C84 H56 N24 O20 Pb4 -","4","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0241","0.0208","","","0.0513","0.0525","","","","","","1.063","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226189","7.8513","0.0002","9.1456","0.0002","10.6941","0.0003","112.083","0.002","108.443","0.002","96.463","0.001","651.18","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H3 N4 O7 Pb2 -","- C9 H3 N4 O7 Pb2 -","- C18 H6 N8 O14 Pb4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0481","0.0456","","","0.1273","0.1298","","","","","","1.041","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226207","9.8334","0.0005","10.2673","0.0006","15.0986","0.0009","87.742","0.005","89.51","0.004","66.545","0.005","1397.31","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","C1N","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0364","0.0295","","","0.075","0.0778","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226208","10.7768","0.0009","11.0362","0.0008","12.2584","0.0005","85.195","0.005","78.024","0.005","80.116","0.006","1403.3","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C1S","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","0.71073","MoKα","","0.0605","0.0444","","","0.0951","0.1072","","","","","","1.113","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226209","15.7005","0.0007","8.0099","0.0004","10.3633","0.0005","90","","94.374","0.004","90","","1299.49","0.11","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C2P","","","- C12 H9 Cu N4 O2 S -","- C12 H9 Cu N4 O2 S -","- C48 H36 Cu4 N16 O8 S4 -","4","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0488","0.0356","","","0.0866","0.0955","","","","","","1.035","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226210","9.8386","0.0007","10.1356","0.0006","14.9963","0.001","90.004","0.005","90.051","0.006","113.105","0.007","1375.48","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C2N","","","- C30 H24 Cu N4 O2 P S -","- C30 H24 Cu N4 O2 P S -","- C60 H48 Cu2 N8 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.043","0.0373","","","0.102","0.1078","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226226","12.0282","0.0019","9.0364","0.0015","8.1578","0.0011","90","","90.601","0.009","90","","886.6","0.2","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","anhydrous sibutramine hydrochloride enantiomer","","- C17 H27 Cl2 N -","- C17 H27 Cl2 N -","- C34 H54 Cl4 N2 -","2","1","","Rosa, F.; Négrier, P.; Espeau, P.","Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability","CrystEngComm","2016","18","36","6903","","10.1039/C6CE01123C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226232","60.91","0.007","60.91","0.007","60.91","0.007","90","","90","","90","","225978","4","296","2","296","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","DUT-63","","- C78 H48 Cu3 N2 O15 -","- C78 H48 Cu3 N2 O15 -","- C1248 H768 Cu48 N32 O240 -","16","0.166667","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1126","0.054","","","0.1205","0.1394","","","","","","0.65","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226233","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-64","","- C52 H32 Cu2 N1.33 O10 -","- C52 H32 Cu2 N1.33333 O10 -","- C312 H192 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1268","0.0771","","","0.2502","0.2861","","","","","","0.827","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226234","35.4","0.004","35.4","0.004","35.4","0.004","90","","90","","90","","44362","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-124","","- C64 H48 Cu2 N1.33 O10 -","- C64 H48 Cu2 N1.33333 O10 -","- C384 H288 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1351","0.1101","","","0.3135","0.3458","","","","","","1.131","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226235","35.51","0.004","35.51","0.004","35.51","0.004","90","","90","","90","","44777","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-125","","- C68 H48 Cu3 N5.33 O10 -","- C64.24 H42.24 Cu3 N5.89333 O10 -","- C385.44 H253.44 Cu18 N35.36 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1009","0.0673","","","0.1999","0.2455","","","","","","1.06","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226236","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-128","","- C82 H64 Cu3 N7.33 O10 -","- C82 H64 Cu3 N7.33333 O10 -","- C492 H384 Cu18 N44 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1558","0.0998","","","0.2748","0.3243","","","","","","1.135","","","","has coordinates,has disorder","188099","2020-10-21","18:00:00",""
"7226237","6.4948","0.0013","8.222","0.0016","20.348","0.004","90","","90.842","0.002","90","","1086.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-chlorobenzaldehyde 2-(2-pyridinyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0513","0.0382","","","0.0942","0.1026","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226238","11.9741","0.0017","4.533","0.0007","20.337","0.003","90","","93.807","0.002","90","","1101.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-pyridinecarboxaldehyde 2-(4-chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0629","0.0386","","","0.0852","0.0952","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226239","29.3899","0.0018","3.8643","0.0003","20.0344","0.0013","90","","108.118","0.005","90","","2162.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2pyridinecarboxaldehyde2(4chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C96 H80 Cl8 N24 -","8","2","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0862","0.0652","","","0.1341","0.1456","","","","","","1.101","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226240","16.787","0.004","3.9475","0.0009","17.596","0.004","90","","108.296","0.016","90","","1107.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde2(4bromophenyl)hydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C48 H40 Br4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0228","0.0222","","","0.0556","0.0567","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226241","17.057","0.0007","3.867","0.0002","18.2283","0.0007","90","","115.093","0.002","90","","1088.85","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-pyrcarboxaldehyde-2-(4-CNphenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0995","0.0798","","","0.2227","0.2489","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226242","13.1678","0.0011","4.2065","0.0004","20.2522","0.0018","90","","93.427","0.004","90","","1119.77","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde 2(4-cyanophenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0435","0.04","","","0.1193","0.125","","","","","","1.135","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226243","12.552","0.005","3.962","0.003","25.17","0.02","90","","102.71","0.03","90","","1221.1","1.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-CNbenzaldehyde 2-(5Br-2pyridinyl)hydrazone","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 Br4 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0489","0.0411","","","0.0882","0.0954","","","","","","1.128","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226244","6.7356","0.001","10.0422","0.0015","10.4886","0.0016","94.501","0.002","105.094","0.002","98.124","0.002","673.15","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Br-2-pyrcarboxaldehyde-4-CNphenylhydrazoneH2O","","- C13 H11 Br N4 O -","- C13 H11 Br N4 O -","- C26 H22 Br2 N8 O2 -","2","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0332","0.0267","","","0.0597","0.0621","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226264","8.8698","0.0002","10.69","0.0003","17.5273","0.0005","90","","96.988","0.003","90","","1649.56","0.08","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C31 H36 Au2 Cl2 N4 O P2 -","- C31 H36 Au2 Cl2 N4 O P2 -","- C62 H72 Au4 Cl4 N8 O2 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.0342","0.0262","","","0.0472","0.0494","","","","","","1.053","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226265","24.029","0.004","16.9105","0.0016","12.0433","0.0018","90","","124.55","0.02","90","","4030.6","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C136 H168 Au8 Cl8 N16 O8 P8 -","4","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.049","0.0352","","","0.082","0.0879","","","","","","1.057","","","","has coordinates,has disorder","301865","2025-08-22","16:17:04",""
"7226266","15.3277","0.0005","8.872","0.0002","14.8008","0.0006","90","","112.309","0.004","90","","1862.07","0.12","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H30 Au2 Cl2 N4 P2 -","- C28 H30 Au2 Cl2 N4 P2 -","- C56 H60 Au4 Cl4 N8 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","1.54184","CuKα","","0.0508","0.0444","","","0.1093","0.1137","","","","","","1.052","","","","has coordinates","188067","2020-10-21","18:00:00",""
"7226267","5.9472","0.0011","7.7189","0.0016","17.425","0.003","92.183","0.008","95.095","0.008","106.851","0.008","760.8","0.3","150","2","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","1","0.5","","Angeloski, Alexander; Hook, James M.; Bhadbhade, Mohan; Baker, Anthony T.; McDonagh, Andrew M.","Intramolecular H⋯S interactions in metal di-(isopropyl)dithiocarbamate complexes","CrystEngComm","2016","18","37","7070","","10.1039/C6CE01475E","","","0.71073","MoKα","","0.0451","0.0323","","","0.0655","0.0702","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226268","10.2754","0.0003","16.2306","0.0004","8.8043","0.0003","90","","111.265","0.003","90","","1368.37","0.08","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Fe N10 Ni O6 -","- C16 H36 Fe N10 Ni O6 -","- C32 H72 Fe2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","x-ray","0.71073","MoKα","","0.0462","0.0307","","","0.0654","0.0731","","","","","","1.067","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226269","10.5579","0.0005","16.3314","0.0006","8.8748","0.0004","90","","112.254","0.003","90","","1416.26","0.11","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Cr N10 Ni O6 -","- C16 H36 Cr N10 Ni O6 -","- C32 H72 Cr2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","","0.71073","MoKα","","0.0585","0.0367","","","0.0618","0.0679","","","","","","1.044","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226270","9.8002","0.0014","11.9983","0.0017","10.126","0.0011","90","","102.646","0.019","90","","1161.8","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 Cr N10 Ni -","- C16 Cr N10 Ni -","- C32 Cr2 N20 Ni2 -","2","1","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","powder diffraction","x-ray","1.5418","CuKaradiation","","0.2233","0.1852","","0.1895","0.1839","","","","3.37","","","","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226290","8.4368","0.001","8.4962","0.0002","11.8803","0.001","100.565","0.011","107.57","","105.95","","746.94","0.12","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 F4 I2 N2 -","- C13 H6 F4 I2 N2 -","- C26 H12 F8 I4 N4 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0432","0.0265","","","0.0563","0.0592","","","","","","0.882","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226291","7.5682","0.0017","13.372","0.003","14.198","0.002","90","","105.457","0.001","90","","1384.9","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 F4 I2 N2 -","- C11 H6 F4 I2 N2 -","- C44 H24 F16 I8 N8 -","4","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0708","0.053","","","0.1326","0.1387","","","","","","0.922","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226292","6.1553","0.0003","9.6907","0.0006","10.8382","0.0005","113.014","0.005","96.686","0.004","104.202","0.005","560.28","0.06","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0225","0.0199","","","0.0487","0.0492","","","","","","1.078","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226293","8.43","0.0007","5.6597","0.0004","31.14","0.002","90","","94.781","0.007","90","","1480.56","0.19","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F4 I2 N2 O2 -","- C32 H22 F4 I2 N2 O2 -","- C64 H44 F8 I4 N4 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0693","0.0333","","","0.0905","0.0956","","","","","","0.898","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226294","9.4529","0.0006","10.6844","0.0008","12.1719","0.0017","96.727","0.002","112.766","0.004","103.57","0.006","1071.87","0.19","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F4 I2 N4 O4 -","- C18 H12 F4 I2 N4 O4 -","- C36 H24 F8 I4 N8 O8 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.1048","0.0373","","","0.0795","0.141","","","","","","0.818","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226295","6.0259","0.0003","8.6495","0.0004","20.3527","0.0013","90","","93.507","0.005","90","","1058.82","0.1","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F4 I2 N4 O2 -","- C18 H16 F4 I2 N4 O2 -","- C36 H32 F8 I4 N8 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0489","0.0286","","","0.0666","0.0916","","","","","","0.995","","","","has coordinates","301865","2025-08-22","16:17:04",""
"7226296","11.2748","0.0002","6.6501","0.0001","14.17","0.0002","90","","108.596","0.001","90","","1006.98","0.03","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Br2 Hg N2 Si2 -","- C14 H20 Br2 Hg N2 Si2 -","- C28 H40 Br4 Hg2 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0509","0.0468","","","0.1097","0.1113","","","","","","1.008","","","","has coordinates,has disorder","187045","2020-10-21","18:00:00",""
"7226297","12.8706","0.0007","8.2506","0.0005","13.8348","0.001","90","","113.876","0.005","90","","1343.4","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C28 H44 Br10 Cl2 Hg4 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.1226","0.0594","","","0.1345","0.1436","","","","","","0.693","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226298","9.5172","0.0004","13.6206","0.0004","16.3559","0.0005","90","","98.7","0.002","90","","2095.82","0.13","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Hg I2 N2 Si2 -","- C14 H20 Hg I2 N2 Si2 -","- C56 H80 Hg4 I8 N8 Si8 -","4","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0431","0.0423","","","0.1131","0.1141","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226299","8.3261","0.0002","22.1706","0.0004","8.2547","0.0002","90","","111.042","0.001","90","","1422.16","0.06","194","2","194","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C28 H44 Cl4 Hg4 I8 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0434","0.0372","","","0.0958","0.0988","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226308","14.7508","0.0009","16.1947","0.001","17.6138","0.0011","75.197","0.002","79.775","0.003","80.709","0.003","3973.5","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","A-2-4 HOOC-CVT, 2-H2N-4-Cl-5-Br-6-H3C-pyrimidine","","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.0979","0.0664","","","0.1843","0.2085","","","","","","1.069","","","","has coordinates,has disorder","301865","2025-08-22","16:17:04",""
"7226309","29.225","0.003","11.4565","0.0011","23.889","0.002","90","","99.091","0.005","90","","7898","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","A-2-6 CVT-COOH, 4,4'-bipyridyl","","- C85 H102 N5 O19 -","- C85 H102 N5 O19 -","- C340 H408 N20 O76 -","4","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.1113","0.0807","","","0.2301","0.2602","","","","","","1.067","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226322","11.6009","0.0007","13.0363","0.0008","15.2941","0.0009","106.333","0.002","96.656","0.002","106.04","0.002","2085.7","0.2","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O2 Se -","- C22 H23 I N O2 Se -","- C88 H92 I4 N4 O8 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0733","0.0619","","","0.1524","0.1586","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226323","11.8766","0.0003","12.7576","0.0004","15.3353","0.0004","105.477","0.001","97.106","0.001","105.185","0.001","2113.78","0.1","120","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O3 Se -","- C22 H23 I N O3 Se -","- C88 H92 I4 N4 O12 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0331","0.0258","","","0.0594","0.0609","","","","","","1.019","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226324","7.3704","0.0004","10.8423","0.0005","14.5069","0.0007","107.977","0.002","100.703","0.002","93.136","0.002","1075.69","0.09","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 I N O3.3 Se -","- C21 H24 I N O3.3 Se -","- C42 H48 I2 N2 O6.6 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0342","0.0234","","","0.0433","0.0461","","","","","","1.0319","","","","has coordinates,has disorder","301865","2025-08-22","16:17:07",""
"7226325","15.211","0.0003","14.7644","0.0003","21.0641","0.0004","90","","108.775","0.001","90","","4478.89","0.16","120","","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 I3 N O2 Se -","- C19 H20 I3 N O2 Se -","- C152 H160 I24 N8 O16 Se8 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0537","0.0283","","","0.0487","0.0543","","","","","","0.8934","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226326","7.5216","0.0004","29.2202","0.0016","11.113","0.0006","90","","93.721","0.005","90","","2437.3","0.2","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.087","0.052","","","0.0958","0.1078","","","","","","1.034","","","","has coordinates,has disorder","301865","2025-08-22","16:17:07",""
"7226327","7.5964","0.0007","29.113","0.003","10.9942","0.0009","90","","96.454","0.004","90","","2416","0.4","120","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.1764","0.0557","","","0.0661","0.0813","","","","","","0.724","","","","has coordinates,has disorder","301865","2025-08-22","16:17:07",""
"7226328","7.2675","0.0002","12.9365","0.0006","15.3429","0.0006","108.909","0.004","92.576","0.003","96.008","0.003","1352.36","0.1","153.15","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0687","0.0535","","","0.1073","0.114","","","","","","1.097","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226329","7.2613","0.0003","12.9355","0.0007","15.3053","0.0009","109.055","0.005","92.175","0.004","96.618","0.004","1345.4","0.13","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0546","0.0416","","","0.0909","0.0961","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226330","6.241","0.004","9.506","0.007","18.651","0.013","99.873","0.015","93.89","0.015","105.674","0.014","1042","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 F6 N2 O3 P -","- C17 H27 F6 N2 O3 P -","- C34 H54 F12 N4 O6 P2 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C–H⋯O or N–H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1085","0.0748","","","0.2235","0.2456","","","","","","1.086","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226331","5.3095","0.0018","7.917","0.003","23.201","0.008","84.701","0.007","83.488","0.007","80.058","0.008","951.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C–H⋯O or N–H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1806","0.0685","","","0.1474","0.2048","","","","","","0.971","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226332","4.6813","0.0003","8.4396","0.0005","23.3456","0.0015","80.193","0.002","88.216","0.002","80.574","0.002","896.59","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Br N2 O3 -","- C17 H27 Br N2 O3 -","- C34 H54 Br2 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C–H⋯O or N–H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.029","0.0248","","","0.0678","0.0844","","","","","","1.23","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226333","6.9325","0.0004","9.5052","0.0006","15.5569","0.001","100.851","0.003","90.364","0.002","104.223","0.002","974.44","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 B F4 N2 O3 -","- C17 H27 B F4 N2 O3 -","- C34 H54 B2 F8 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C–H⋯O or N–H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.0465","0.0398","","","0.1109","0.1233","","","","","","1.081","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226334","7.0445","0.0002","17.1474","0.0005","10.9776","0.0004","90","","107.251","0.004","90","","1266.39","0.07","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-(dimethylamino)phenyl)-2-(pyridin-4-yl)acrylonitrile","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Ceballos, Paulina; Soriano-Moro, Guillermo; Rodríguez, Oscar; Chapela, Víctor M.; Castro, M. Eugenia; Bonilla-Cruz, J.; Siegler, Maxime A.","Changes in the luminescence emission of α,β-unsaturated acrylonitrile derivatives: morphology, polymorphism and solvent effect","CrystEngComm","2016","18","39","7554","","10.1039/C6CE01391K","","","1.54178","CuKα","","0.0446","0.0393","","","0.0989","0.1034","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226336","8.9957","0.0011","10.0831","0.0013","10.4133","0.0014","89.154","0.005","71.747","0.005","64.264","0.005","799.87","0.18","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.041","0.0312","","","0.0783","0.0842","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226337","9.0188","0.0009","10.1722","0.001","10.4719","0.001","88.254","0.005","71.579","0.005","64.025","0.005","812.82","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0948","0.0445","","","0.0977","0.1201","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226338","9.0278","0.0009","10.2654","0.001","10.6009","0.0011","75.203","0.005","70.936","0.005","64.122","0.005","828.05","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0287","0.021","","","0.0493","0.0517","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226339","9.0497","0.0009","10.3158","0.001","10.669","0.0011","76.068","0.005","70.779","0.005","64.511","0.005","843.19","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0353","0.0239","","","0.0558","0.0603","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226340","9.2387","0.0009","10.497","0.001","10.8284","0.0011","88.215","0.005","69.551","0.005","64.302","0.005","877.57","0.16","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0198","0.0175","","","0.0408","0.0421","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226341","9.2547","0.0009","10.6163","0.0011","10.8929","0.0011","74.976","0.005","69.459","0.005","64.157","0.005","894.76","0.16","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0288","0.0235","","","0.0509","0.054","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226342","3.7762","0.0004","5.8688","0.0007","10.3157","0.0012","90.165","0.005","95.411","0.005","99.256","0.005","224.59","0.04","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0477","0.0366","","","0.0897","0.1012","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226343","3.8373","0.0006","5.9282","0.0007","10.3247","0.0014","90.671","0.007","95.227","0.008","100.693","0.008","229.73","0.06","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0953","0.0582","","","0.1378","0.1709","","","","","","1.073","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226345","10.393","0.002","14.018","0.003","14.24","0.003","117.59","0.03","93.18","0.03","98.27","0.03","1801.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.065","0.0532","","","0.1332","0.1422","","","","","","1.055","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226346","20.7373","0.0016","17.9433","0.0014","10.9131","0.0008","90","","91.475","0.007","90","","4059.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40.25 H35.15 Br0.1 Cu2.1 N6.65 O14.45 -","- C38 H29.9 Br0.1 Cu2.1 N5.9 O13.7 -","- C152 H119.6 Br0.4 Cu8.4 N23.6 O54.8 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.71073","MoKα","","0.0788","0.0583","","","0.1579","0.1685","","","","","","1.074","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226347","11.014","0.002","13.053","0.003","14.145","0.003","63.88","0.03","79.87","0.03","89.57","0.03","1791.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H60.5 Mn3 N11.5 O26.5 -","- C68 H50 Mn3 N8 O19 -","- C68 H50 Mn3 N8 O19 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.1094","0.0788","","","0.2133","0.233","","","","","","1.06","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226348","20.889","0.004","18.004","0.004","10.913","0.002","90","","91.36","0.03","90","","4103.1","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C72.25 H50.25 Br1.2 Cu1.2 N10.55 O26.15 Zn4 -","- C70 H45 Br1.2 Cu1.2 N9.8 O25.4 Zn4 -","- C140 H90 Br2.4 Cu2.4 N19.6 O50.8 Zn8 -","2","0.25","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0771","0.076","","","0.2121","0.2127","","","","","","1.055","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226349","23.128","0.005","14.043","0.003","23.412","0.005","90","","95.37","0.03","90","","7571","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75.5 H69.5 Co3 N12.5 O28.5 -","- C68 H52 Co3 N10 O26 -","- C272 H208 Co12 N40 O104 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0483","0.0453","","","0.1181","0.1199","","","","","","1.048","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226356","14.174","0.004","18.194","0.005","26.052","0.006","90","","90","","90","","6718","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Na3 O26 -","- C73 H67 Na3 O26 -","- C292 H268 Na12 O104 -","4","1","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1782","0.0677","","","0.1638","0.211","","","","","","0.982","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226357","14.84","0.002","17.911","0.003","31.01","0.005","79.663","0.011","86.268","0.011","82.469","0.012","8031","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H61.5 Na3 O24.25 -","- C72 H61.5 Na3 O24.25 -","- C288 H246 Na12 O97 -","4","2","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.3084","0.1435","","","0.3559","0.405","","","","","","0.878","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226358","21.041","0.004","21.041","0.004","16.456","0.003","90","","90","","90","","7285","2","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C76 H72 Na4 O26 S2 -","- C76 H72 Na4 O26 S2 -","- C304 H288 Na16 O104 S8 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1946","0.0689","","","0.1234","0.1666","","","","","","0.973","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226359","21.0771","0.0007","21.0771","0.0007","16.6303","0.0005","90","","90","","90","","7387.9","0.4","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C78 H74 N2 Na4 O26 -","- C78 H74 N2 Na4 O26 -","- C312 H296 N8 Na16 O104 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1725","0.0662","","","0.1548","0.2141","","","","","","1.005","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226360","23.156","0.003","23.156","0.003","13.081","0.0016","90","","90","","90","","7014","1.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C62 H64 Cl N30 O25 -","- C62 H64 Cl N30 O27 -","- C248 H256 Cl4 N120 O108 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1112","0.0985","","","0.2363","0.2457","","","","","","1.106","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226361","28.597","0.002","27.378","0.002","19.9414","0.0015","90","","124.639","0.001","90","","12845.3","1.6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C99.5 H112.5 N56 O41 -","- C100 H115 N56 O41 -","- C400 H460 N224 O164 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1041","0.0801","","","0.2379","0.2553","","","","","","1.111","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226362","24.382","0.002","23.126","0.002","27.053","0.003","90","","109.521","0.001","90","","14377","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H142 Br6 N40 O28 -","- C126 H142 Br6 N40 O28 -","- C504 H568 Br24 N160 O112 -","4","1","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1245","0.0779","","","0.2163","0.2408","","","","","","1.059","","","","has coordinates,has disorder","301865","2025-08-22","16:17:07",""
"7226363","12.773","0.002","13.042","0.002","13.81","0.002","76.503","0.003","78.2","0.003","83.064","0.003","2183.3","0.6","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H50 Cu4 I4 N S3 -","- C36 H50 Cu4 I4 N S3 -","- C72 H100 Cu8 I8 N2 S6 -","2","1","","Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.","The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.","Physical chemistry chemical physics : PCCP","2016","18","36","24845","24849","10.1039/c6cp04728a","","x-ray","0.71073","MoKα","","0.0233","0.0187","","","0.0407","0.0417","","","","","","1.083","","","","has coordinates","187202","2020-10-21","18:00:00",""
"7226364","11.9745","0.0005","20.6966","0.0008","26.9669","0.0011","90","","98.373","0.003","90","","6612","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H89 Cu4 I4 N S4 -","- C59 H89 Cu4 I4 N S4 -","- C236 H356 Cu16 I16 N4 S16 -","4","1","","Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.","The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.","Physical chemistry chemical physics : PCCP","2016","18","36","24845","24849","10.1039/c6cp04728a","","x-ray","1.54186","CuKα","","0.1771","0.1052","","","0.2583","0.302","","","","","","0.981","","","","has coordinates","187202","2020-10-21","18:00:00",""
"7226392","12.0794","0.0012","8.0555","0.0009","20.207","0.003","90","","90","","90","","1966.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H20 Ho2 O19 -","- C9 H6 Ho2 O19 -","- C36 H24 Ho8 O76 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0376","0.0333","","","0.0814","0.0831","","","","","","1.227","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226393","17.15","0.002","12.284","0.002","11.144","0.002","90","","127.549","0.013","90","","1861.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 O18 Sm2 -","- C9 H6 O18 Sm2 -","- C36 H24 O72 Sm8 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.043","0.0321","","","0.0797","0.0897","","","","","","1.16","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226394","11.3106","0.0007","12.6698","0.0012","14.7397","0.0015","90","","90","","90","","2112.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H22 Ce2 O20 -","- C9 H6 Ce2 O20 -","- C36 H24 Ce8 O80 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0624","0.0415","","","0.0926","0.1024","","","","","","1.109","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226395","7.6281","0.0008","12.8621","0.0013","8.8824","0.0011","90","","101.279","0.008","90","","854.65","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 Ce2 O17 -","- C9 H6 Ce2 O17 -","- C18 H12 Ce4 O34 -","2","1","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0337","0.0297","","","0.0653","0.0667","","","","","","1.078","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226403","17.874","0.006","27.273","0.008","11.528","0.005","90","","105.453","0.008","90","","5416","3","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C144 H336 Cd12 Cl48 N24 -","12","3","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0589","0.0452","","","0.1047","0.1118","","","","","","1.087","","","","has coordinates","188090","2020-10-21","18:00:00",""
"7226404","27.432","0.005","8.4349","0.0017","8.0648","0.0016","90","","90","","90","","1866.1","0.6","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C48 H112 Cd4 Cl16 N8 -","4","0.5","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0439","0.0362","","","0.0592","0.0609","","","","","","1.083","","","","has coordinates,has disorder","188090","2020-10-21","18:00:00",""
"7226405","10.5847","0.0006","8.8751","0.0005","16.2063","0.0009","90","","106.21","0.006","90","","1461.9","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C60 H52 N12 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0757","0.0531","","","0.085","0.0956","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226406","22.884","0.003","8.3045","0.0006","15.2009","0.0012","90","","101.047","0.008","90","","2835.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C120 H104 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0432","0.036","","","0.1107","0.1222","","","","","","1.092","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226407","7.6645","0.0006","7.8706","0.0007","12.6909","0.0012","107.745","0.006","99.244","0.007","97.038","0.006","707.6","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0527","0.0363","","","0.1056","0.117","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226408","7.6357","0.0005","8.2456","0.0008","11.8464","0.0006","97.352","0.006","104.485","0.005","96.981","0.007","707","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.05","0.0382","","","0.0648","0.0709","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226409","12.4078","0.0012","15.0565","0.0012","15.0342","0.0011","90","","97.887","0.008","90","","2782.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 S2 -","- C15 H11 N3 S2 -","- C120 H88 N24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1438","0.0954","","","0.1797","0.1939","","","","","","1.094","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226410","8.079","0.005","9.344","0.006","9.702","0.006","100.825","0.013","94.448","0.013","105.221","0.012","687.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C30 H26 N6 O2 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0621","0.0394","","","0.0751","0.0793","","","","","","1.078","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226411","15.4084","0.0008","7.7845","0.0004","27.4631","0.0014","90","","90","","90","","3294.1","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl N3 O2 S -","- C15 H16 Cl N3 O2 S -","- C120 H128 Cl8 N24 O16 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0866","0.0397","","","0.0578","0.0654","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226412","8.335","0.0016","7.321","0.0018","14.859","0.003","90","","91.577","0.013","90","","906.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl N3 O6 S -","- C15 H16 Cl N3 O6 S -","- C30 H32 Cl2 N6 O12 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.096","0.0626","","","0.1456","0.1797","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226413","8.3706","0.0012","18.536","0.002","21.658","0.003","90","","99.199","0.01","90","","3317.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Cl N4 O S -","- C31 H49 Cl N4 O S -","- C124 H196 Cl4 N16 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1229","0.0609","","","0.133","0.1531","","","","","","1.094","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226414","8.4037","0.0012","10.2399","0.0015","19.874","0.003","97.051","0.007","95.211","0.007","94.056","0.007","1684.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C62 H102 Cl2 N8 O4 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0738","0.0497","","","0.0946","0.1024","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226415","11.5868","0.0016","15.626","0.002","19.065","0.002","90","","98.02","0.009","90","","3418.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C124 H204 Cl4 N16 O8 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1919","0.0902","","","0.1919","0.2324","","","","","","1.096","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226416","8.4428","0.0008","22.3348","0.0019","7.7119","0.0007","90","","106.99","0.006","90","","1390.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0718","0.0439","","","0.0725","0.0811","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226417","16.1738","0.0012","16.3065","0.0012","17.2609","0.0012","111.457","0.0019","110.595","0.002","96.01","0.002","3821.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 La2 N6 O18 S6 -","- C60 H60 La2 N6 O18 S6 -","- C120 H120 La4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.101","0.0869","","","0.2309","0.2367","","","","","","1.064","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226418","16.1339","0.0006","16.3437","0.0006","17.2177","0.0006","111.101","0.001","110.695","0.001","96.1766","0.0012","3816.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Ce2 N6 O18 S6 -","- C60 H60 Ce2 N6 O18 S6 -","- C120 H120 Ce4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0737","0.0548","","","0.1619","0.1716","","","","","","1.148","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226419","16.123","0.0008","16.3385","0.0008","17.2058","0.0008","110.634","0.001","110.904","0.001","96.368","0.001","3814.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 N6 O18 Pr2 S6 -","- C60 H60 N6 O18 Pr2 S6 -","- C120 H120 N12 O36 Pr4 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","mokα","","0.0572","0.05","","","0.1496","0.156","","","","","","0.965","","","","has coordinates,has disorder","189829","2020-10-21","18:00:00",""
"7226420","16.0585","0.0007","16.3646","0.0007","17.1438","0.0007","110.363","0.0007","111.01","0.0007","96.5967","0.0008","3792.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","1","0.5","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.074","0.0502","","","0.1567","0.1777","","","","","","1.123","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226421","16.0536","0.0006","16.3481","0.0007","17.1341","0.0007","110.266","0.001","111.024","0.001","96.714","0.001","3785.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H73 Eu2 N7 O20 S7 -","- C65 H73 Eu2 N7 O20 S7 -","- C130 H146 Eu4 N14 O40 S14 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0732","0.0543","","","0.1574","0.1765","","","","","","1.046","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226422","16.0917","0.0006","16.3567","0.0006","17.1769","0.0006","110.724","0.001","110.848","0.001","96.387","0.001","3803.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 Nd2 O18 S5 -","- C59 H58 N6 Nd2 O18 S5 -","- C118 H116 N12 Nd4 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0616","0.0531","","","0.1658","0.173","","","","","","1.096","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226423","16.0579","0.0007","16.2365","0.0007","17.1282","0.0008","109.654","0.001","111.356","0.001","96.945","0.001","3763","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 Gd2 N6 O18 S5 -","- C59 H58 Gd2 N6 O18 S5 -","- C118 H116 Gd4 N12 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0757","0.0545","","","0.1762","0.1931","","","","","","1.105","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226424","16.029","0.0007","16.2743","0.0007","17.1155","0.0007","109.868","0.001","111.261","0.001","96.858","0.001","3760.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 O18 S5 Tb2 -","- C59 H58 N6 O18 S5 Tb2 -","- C118 H116 N12 O36 S10 Tb4 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0796","0.0565","","","0.1771","0.1945","","","","","","1.211","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226450","8.7785","0.0004","9.7547","0.0004","10.2957","0.0005","93.527","0.002","101.291","0.002","102.406","0.002","839.43","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N10 O8 -","- C11 H16 N10 O8 -","- C22 H32 N20 O16 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0437","0.0373","","","0.1066","0.1137","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226451","12.7602","0.0004","9.0277","0.0004","17.1544","0.0007","90","","95.503","0.003","90","","1967","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N5 O5 -","- C6 H11 N5 O5 -","- C48 H88 N40 O40 -","8","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0392","0.0342","","","0.0955","0.0996","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226452","7.7868","0.0014","10.0032","0.0018","10.6058","0.0019","72.744","0.006","70.282","0.006","75.842","0.006","733","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H19.16 N8 O6.59 -","- C7 H16 N8 O6.5833 -","- C14 H32 N16 O13.1666 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0559","0.0431","","","0.1234","0.1322","","","","","","1.055","","","","has coordinates,has disorder","188074","2020-10-21","18:00:00",""
"7226453","3.9966","0.0002","12.0312","0.0006","15.5723","0.0009","71.941","0.002","89.275","0.002","84.754","0.002","708.81","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H18 N10 O5 -","- C7 H18 N10 O5 -","- C14 H36 N20 O10 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0532","0.0413","","","0.1095","0.1196","","","","","","0.99","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226454","7.3538","0.0004","6.7","0.0004","24.9855","0.0015","90","","95.147","0.002","90","","1226.08","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[BIM+][SA-]","benzimidazolium salicylate","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0477","0.0392","","","0.1006","0.1072","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226455","6.9999","0.0014","16.7","0.003","11.685","0.002","90","","101.81","0.03","90","","1337","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ADE+][SA-]H2O","Adeninium salicylate monohydrate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0865","0.0589","","","0.1418","0.1574","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226456","9.6386","0.0019","8.5322","0.0017","13.91","0.003","90","","109.93","0.03","90","","1075.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CYT+][SA-]","Cytosinium salicylate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C44 H44 N12 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0441","0.0369","","","0.0995","0.1053","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226457","9.909","0.002","9.817","0.002","22.872","0.005","90","","102.12","0.03","90","","2175.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2[BIM+][SSA-2]H2O","Di-benzimidazolium sulfosalicylate monohydrate","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0478","0.039","","","0.1012","0.107","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226458","6.7311","0.0013","10.314","0.002","10.743","0.002","85.32","0.03","85.11","0.03","86.41","0.03","739.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[ADE+][SSA-]H2O","Adeninium sulfosalicylate monohydrate","","- C12 H13 N5 O7 S -","- C12 H13 N5 O7 S -","- C24 H26 N10 O14 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0556","0.0423","","","0.1018","0.1098","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226459","7.2974","0.0015","8.4044","0.0017","15.47","0.003","77.82","0.03","83.19","0.03","88.82","0.03","920.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[CYT+][SAA-][CYT]H2O","Cytosinium sulfosalicylate cytosine monohydrate","","- C15 H18 N6 O9 S -","- C15 H18 N6 O9 S -","- C30 H36 N12 O18 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0785","0.045","","","0.1088","0.1256","","","","","","1.007","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226460","6.9579","0.0014","9.6421","0.0019","14.749","0.003","101.51","0.03","101.98","0.03","98.62","0.03","929.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[FCYT+][SAA-][FCYT]","Fluorocytosinium sulfosalicylate fluorocytosine","","- C15 H14 F2 N6 O8 S -","- C15 H14 F2 N6 O8 S -","- C30 H28 F4 N12 O16 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0552","0.0387","","","0.0952","0.1048","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226461","16.1475","0.0014","12.516","0.0011","19.8687","0.0017","90","","93.321","0.001","90","","4008.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 O11 Zn2 -","- C23 H11 O11 Zn2 -","- C92 H44 O44 Zn8 -","4","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.0627","0.0444","","","0.1048","0.1097","","","","","","1.047","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226462","29.218","0.003","11.1912","0.0011","22.9833","0.0017","90","","90","","90","","7515.2","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H23 Cd2 N2 O12 -","- C29 H23 Cd2 N2 O12 -","- C232 H184 Cd16 N16 O96 -","8","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.106","0.0662","","","0.1895","0.2155","","","","","","1.023","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226463","28.166","0.003","28.166","0.003","9.7199","0.0009","90","","90","","90","","7711","1.4","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H50 N4 O24 Zn3 -","- C56 H50 N4 O24 Zn3 -","- C224 H200 N16 O96 Zn12 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.062","","","0.1621","0.1664","","","","","","1.051","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226464","29.22","0.002","29.22","0.002","9.3882","0.0009","90","","90","","90","","8015.7","1.1","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H64 Cd3 N6 O24 -","- C60 H64 Cd3 N6 O24 -","- C240 H256 Cd12 N24 O96 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.0505","","","0.1257","0.1361","","","","","","1.018","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226465","13.4384","0.0014","17.4194","0.0018","16.514","0.0017","90","","104.02","0.001","90","","3750.6","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Ag O4 P2 S -","- C42 H32 Ag O4 P2 S -","- C168 H128 Ag4 O16 P8 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0438","0.0352","","","0.0821","0.0866","","","","","","1.052","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226466","10.372","0.0012","5.6131","0.0006","30.25","0.003","90","","97.097","0.001","90","","1747.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Ag2 N4 O4 S -","- C16 H14 Ag2 N4 O4 S -","- C64 H56 Ag8 N16 O16 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0443","0.0403","","","0.0859","0.088","","","","","","1.028","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226467","11.962","0.0014","11.315","0.0013","36.656","0.004","90","","90","","90","","4961.4","1","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ag2 N8 O7 S -","- C18 H32 Ag2 N8 O7 S -","- C144 H256 Ag16 N64 O56 S8 -","8","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0378","0.0334","","","0.0768","0.0787","","","","","","1.147","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226468","10.852","0.0003","14.2506","0.0006","19.6911","0.0008","96.202","0.003","103.112","0.003","94.223","0.003","2933.2","0.2","300","1","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N3 O5 S -","- C25 H47 N3 O5 S -","- C100 H188 N12 O20 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.0789","0.0564","","","0.1675","0.1933","","","","","","1.031","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226469","9.33311","0.00013","18.8139","0.0003","15.7107","0.0002","90","","90","","90","","2758.68","0.07","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H47 N3 O5 S -","- C24 H47 N3 O5 S -","- C96 H188 N12 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly – a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0316","0.03","","","0.075","0.0764","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226470","19.1853","0.0005","16.9662","0.0004","19.0342","0.0005","90","","109.85","0.003","90","","5827.5","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 N8 O13 S2 -","- C48 H90 N8 O13 S2 -","- C192 H360 N32 O52 S8 -","4","0.5","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.086","0.0794","","","0.2289","0.2406","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226471","19.4863","0.0008","16.95","0.0006","19.0704","0.0005","90","","110.145","0.004","90","","5913.5","0.4","100","1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H45 F3 N3 O4.5 S -","- C25 H45 F3 N3 O4.5 S -","- C200 H360 F24 N24 O36 S8 -","8","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly – a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.069","0.0602","","","0.1485","0.1558","","","","","","1.045","","","","has coordinates,has disorder","301865","2025-08-22","16:17:07",""
"7226472","12.3465","0.0007","13.2148","0.0009","20.8662","0.001","78.866","0.005","76.851","0.004","82.631","0.005","3240.1","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 F3 N3 O4 S2.5 -","- C52 H96 F6 N6 O8 S5 -","- C104 H192 F12 N12 O16 S10 -","2","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0819","0.0543","","","0.1208","0.1386","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226473","13.3272","0.0004","20.7771","0.0006","22.3152","0.0006","90","","92.086","0.003","90","","6175","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 F6 N3 O4 S -","- C26 H43 F6 N3 O4 S -","- C208 H344 F48 N24 O32 S8 -","8","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly – a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.058","0.0446","","","0.1054","0.1148","","","","","","1.017","","","","has coordinates,has disorder","301865","2025-08-22","16:17:07",""
"7226474","12.1225","0.0005","13.1483","0.0004","21.4144","0.0011","74.424","0.004","87.1","0.004","84.476","0.003","3271.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 F6 N3 O4 S2 -","- C26 H45 F6 N3 O4 S2 -","- C104 H180 F24 N12 O16 S8 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.1342","0.111","","","0.3006","0.3293","","","","","","1.055","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226475","4.8741","0.0003","6.3672","0.0004","40.456","0.003","90","","90","","90","","1255.53","0.14","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N2 Na O5 S -","- C9 H10 F3 N2 Na O5 S -","- C36 H40 F12 N8 Na4 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly – a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0697","0.0701","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226476","9.1526","0.0003","12.9487","0.0005","13.3592","0.0006","93.444","0.004","97.949","0.003","92.527","0.003","1563.01","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 N3 O4 S -","- C14 H14 F3 N3 O4 S -","- C56 H56 F12 N12 O16 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly – a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0441","0.0424","","","0.1103","0.1113","","","","","","1.128","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226477","13.5515","0.0011","3.9004","0.0003","20.9865","0.0016","90","","94.725","0.004","90","","1105.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Sousa, Ana Catarina; Piedade, M. Fátima M. M.; Martins, Lígia O.; Robalo, M. Paula","Eco-friendly synthesis of indo dyes mediated by a bacterial laccase","Green Chem.","2016","18","22","6063","","10.1039/C6GC02050J","","","0.71073","MoKα","","0.0603","0.0399","","","0.1021","0.1106","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226478","10.8078","0.0006","6.1587","0.0003","7.7148","0.0004","90","","104.196","0.005","90","","497.83","0.05","95","0.8","95","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dichlorophosphanyl Isocyanate","","","- C Cl2 N O P -","- C Cl2 N O P -","- C4 Cl8 N4 O4 P4 -","4","1","","Li, Dingqing; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Willner, Helge; Zeng, Xiaoqing","Dichlorophosphanyl isocyanate - spectroscopy, conformation and molecular structure in the gas phase and the solid state.","Physical chemistry chemical physics : PCCP","2016","18","37","26245","26253","10.1039/c6cp05377g","","","0.7107","MoKα","","0.0315","0.0286","","","0.0698","0.0717","","","","","","1.092","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226487","7.3977","0.0005","11.6656","0.0007","20.3981","0.0013","76.247","0.003","83.564","0.003","88.301","0.004","1699.07","0.19","130","2","130","2","","","","","","","","4","P -1","-P 1","2","CDME","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.","Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.","Physical chemistry chemical physics : PCCP","2016","18","39","27671","27683","10.1039/c6cp04619c","","","1.54178","CuKα","","0.0645","0.0478","","","0.1004","0.109","","","","","","1.048","","","","has coordinates","188311","2020-10-21","18:00:00",""
"7226488","20.7631","0.0005","3.953","0.0001","18.9724","0.0004","90","","99.996","0.001","90","","1533.55","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CME","CPB 2","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.","Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.","Physical chemistry chemical physics : PCCP","2016","18","39","27671","27683","10.1039/c6cp04619c","","","1.54178","CuKα","","0.0548","0.0423","","","0.0934","0.0995","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:07",""
"7226499","11.196","0.0007","13.4174","0.0009","16.1522","0.001","70.32","0.001","70.03","0.001","86.337","0.001","2143.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1","","","- C24 H32 N10 O34 Pr2 -","- C24 H36 N10 O34 Pr2 -","- C48 H72 N20 O68 Pr4 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0228","0.019","","","0.0469","0.05","","","","","","1.04","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226500","15.0627","0.001","16.6949","0.0011","18.0047","0.0012","115.295","0.001","101.985","0.001","90.845","0.001","3976.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","2","","","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C110 H90 Cu14 I14 N26 O45 Pr6 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.024","0.0197","","","0.043","0.0444","","","","","","1.011","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226501","15.289","0.006","8.168","0.003","28.995","0.011","90","","100.646","0.005","90","","3559","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3","","","- C42 H39 Cu8 I8 N9 O16.5 Pr2 -","- C44 H32 Cu8 I8 N10 O17 Pr2 -","- C88 H64 Cu16 I16 N20 O34 Pr4 -","2","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0435","0.0367","","","0.0931","0.0972","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226502","15.095","0.0004","25.0532","0.0008","29.7588","0.0008","90","","107.936","0.001","90","","10707.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-Pr","","","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C276 H280 Cu48 I48 N56 O92 Pr12 -","4","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0364","0.0318","","","0.0731","0.0752","","","","","","1.046","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226503","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226504","30.332","0.004","46.354","0.006","18.13","0.003","90","","116.729","0.002","90","","22767","6","150","2","150","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","6","","","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C234.4 H160 Cu48 I48 K4 N40 O121.6 Pr12 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.223","0.1302","","","0.3437","0.4407","","","","","","1.08","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226505","42.221","0.005","30.379","0.004","27.178","0.003","90","","90","","90","","34859","7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","7","","","- C51 H32 Cs0 Cu8 I8 N10 O31 Pr4 -","- C51 H39 Cu8 I8 N10 O31 Pr4 -","- C408 H312 Cu64 I64 N80 O248 Pr32 -","8","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.1046","0.0639","","","0.1834","0.2025","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226506","5.0952","0.001","13.021","0.003","6.8264","0.0014","90","","105.26","0.03","90","","436.93","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Hg N5 -","- C H2 Hg N5 -","- C4 H8 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0618","0.0594","","","0.1491","0.1528","","","","","","1.087","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226507","8.1233","0.0013","6.9274","0.0011","8.7456","0.0014","90","","93.122","0.002","90","","491.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C4 H8 Cl4 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0259","0.0249","","","0.065","0.0658","","","","","","1.055","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226508","5.8459","0.0013","6.9731","0.0015","6.1725","0.0013","90","","94.27","0.002","90","","250.92","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C2 H4 Cl2 Hg2 N10 -","2","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0604","0.054","","","0.1323","0.1405","","","","","","1.131","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226509","7.2488","0.001","6.2654","0.0008","10.1326","0.0013","90","","90","","90","","460.19","0.1","296","2","296","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C7 H6 Hg N6 O2 -","- C7 H6 Hg N6 O2 -","- C14 H12 Hg2 N12 O4 -","2","0.25","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0432","0.0431","","","0.1065","0.1067","","","","","","1.001","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226516","15.7341","0.0018","19.19","0.002","8.3925","0.001","90","","90","","90","","2534","0.5","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H18 N2 O7 Zn -","- C27 H18 N2 O7 Zn -","- C108 H72 N8 O28 Zn4 -","4","1","","Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu","Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks","Green Chem.","2016","18","20","5418","","10.1039/C6GC01686C","","","0.71073","MoKα","","0.1014","0.0702","","","0.1932","0.2214","","","","","","1.079","","","","has coordinates","188252","2020-10-21","18:00:00",""
"7226517","10.8088","0.0015","10.8088","0.0015","16.283","0.005","90","","90","","90","","1902.3","0.7","123","2","123","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C28 H18 N2 O8 Zn2 -","- C28 H18 N2 O8 Zn2 -","- C28 H18 N2 O8 Zn2 -","1","0.0625","","Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu","Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks","Green Chem.","2016","18","20","5418","","10.1039/C6GC01686C","","","0.71073","MoKα","","0.0968","0.0863","","","0.2481","0.2583","","","","","","1.145","","","","has coordinates,has disorder","188252","2020-10-21","18:00:00",""
"7226528","18.7531","0.0008","25.0061","0.0011","10.5276","0.0005","90","","91.259","0.001","90","","4935.6","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31.5 N0.5 O6 -","- C28 H31.5 N0.5 O6 -","- C224 H252 N4 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene–acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0925","0.0476","","","0.1117","0.1322","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226529","18.606","0.002","24.551","0.003","10.4027","0.0013","90","","90.819","0.003","90","","4751.4","1","153","2","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C216 H240 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene–acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0696","0.0444","","","0.1005","0.1122","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226538","14.095","0.0005","15.667","0.0005","21.182","0.0008","86.503","0.003","76.211","0.003","69.422","0.003","4251.6","0.3","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","compound 1","","- C95 H74 B2 Cl6 Fe N16 -","- C95 H70 B2 Cl6 Fe N16 -","- C190 H140 B4 Cl12 Fe2 N32 -","2","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71069","MoKα","","0.1551","0.0909","","","0.2557","0.3255","","","","","","1.022","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226539","12.328","0.0006","20.697","0.0008","17.7258","0.001","90","","117.72","0.004","90","","4003.7","0.4","120","1","120","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","compound 2","","- C32 H23 Br2 F6 Fe N12 O8.5 S2 -","- C32 H18 Br2 F6 Fe N12 O8.5 S2 -","- C128 H72 Br8 F24 Fe4 N48 O34 S8 -","4","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71073","MoKα","","0.1649","0.0885","","","0.2422","0.3225","","","","","","0.952","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226540","18.0922","0.0015","28.182","0.002","16.7188","0.0012","90","","90","","90","","8524.5","1.1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H20 Cu2 N4 -","- C30 H20 Cu2 N4 -","- C360 H240 Cu24 N48 -","12","3","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.2443","0.1496","","","0.2879","0.3181","","","","","","1.426","","","","has coordinates","188095","2020-10-21","18:00:00",""
"7226541","18.2348","0.0006","18.2348","0.0006","16.395","0.0004","90","","90","","120","","4721.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H24 Cu2 N4 O -","- C30 H20 Cu2 N4 -","- C180 H120 Cu12 N24 -","6","1","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.0458","0.0409","","","0.1097","0.1129","","","","","","1.059","","","","has coordinates,has disorder","188095","2020-10-21","18:00:00",""
"7226542","10.0179","0.0008","12.2989","0.0011","17.6698","0.0016","100.592","0.005","95.431","0.005","102.457","0.005","2069.1","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Eu F12 N O8 S4 -","- C34 H24 Eu F12 N O8 S4 -","- C68 H48 Eu2 F24 N2 O16 S8 -","2","1","","Yi, Sijing; Yao, Meihuan; Wang, Jiao; Chen, Xiao","Highly luminescent and stable lyotropic liquid crystals based on a europium β-diketonate complex bridged by an ethylammonium cation.","Physical chemistry chemical physics : PCCP","2016","18","39","27603","27612","10.1039/c6cp05940f","","","0.71","MoKα","","0.0446","0.038","","","0.1012","0.1072","","","","","","1.058","","","","has coordinates","187201","2020-10-21","18:00:00",""
"7226550","7.6484","0.0005","16.6146","0.0011","11.9576","0.0007","90","","108.111","0.001","90","","1444.23","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O6 -","- C15 H11 N3 O6 -","- C60 H44 N12 O24 -","4","1","","Mekala, R.; Mani, Rajaboopathi; Rietveld, Ivo B.; Jagdish, P.; Mathammal, R.; Jiang, Huaidong","Crystal growth and physical properties of the organic salt benzimidazolium 3-nitrophthalate","CrystEngComm","2016","18","42","8194","","10.1039/C6CE01712F","","","0.71073","MoKα","","0.047","0.0358","","","0.0846","0.0953","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226551","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","188086","2020-10-21","18:00:00",""
"7226560","14.19","0.003","8.068","0.0016","22.427","0.005","90","","100.06","0.03","90","","2528.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ebp-terpyridine","ebptpy","","- C30 H23 N3 O2 -","- C30 H23 N3 O2 -","- C120 H92 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives – free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0658","0.0487","","","0.1508","0.1608","","","","","","1.127","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226561","22.883","0.005","8.352","0.0017","14.445","0.003","90","","106.61","0.03","90","","2645.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etp-terpyridine","etptpy","","- C36 H27 N3 O2 -","- C36 H27 N3 O2 -","- C144 H108 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives – free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0563","0.0499","","","0.1422","0.148","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226562","6.527","0.0013","7.903","0.0016","18.016","0.004","95.78","0.03","95.32","0.03","94.15","0.03","917.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pfpatpy","pfpatpy","","- C23 H10 F5 N3 -","- C23 H10 F5 N3 -","- C46 H20 F10 N6 -","2","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives – free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.63","Synchrotron","","0.0766","0.0662","","","0.183","0.1991","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226563","5.714","0.0011","16.831","0.003","17.555","0.004","90","","92.54","0.03","90","","1686.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bzo-terpyridine","bzotpy","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives – free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0514","0.0443","","","0.1262","0.1307","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226564","13.742","0.006","10.981","0.005","23.785","0.01","90","","103.153","0.006","90","","3495","3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C132 H72 Eu4 N12 O30 -","2","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.0605","0.0436","","","0.0908","0.0968","","","","","","1.022","","","","has coordinates","188109","2020-10-21","18:00:00",""
"7226565","13.502","0.004","26.611","0.008","18.609","0.006","90","","90","","90","","6686","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C264 H144 Eu8 N24 O60 -","4","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.1047","0.0491","","","0.1025","0.1208","","","","","","1.006","","","","has coordinates,has disorder","188109","2020-10-21","18:00:00",""
"7226566","12.1013","0.0003","12.1013","0.0003","24.5291","0.0009","90","","90","","90","","3592.08","0.18","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 N6 O7 -","- C36 H34 N6 O7 -","- C144 H136 N24 O28 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.1147","0.0999","","","0.3109","0.3351","","","","","","1.079","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226567","8.1558","0.0002","12.8129","0.0003","22.6191","0.0004","90","","90","","90","","2363.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N6 O6 -","- C24 H30 N6 O6 -","- C96 H120 N24 O24 -","4","1","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","1.54184","CuKα","","0.0399","0.0395","","","0.1051","0.1055","","","","","","1.085","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226568","23.6335","0.0014","4.9941","0.0002","18.5991","0.0012","90","","123.025","0.004","90","","1840.5","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cd Cl2 N6 O4 -","- C34 H30 Cd Cl2 N6 O4 -","- C68 H60 Cd2 Cl4 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0561","0.052","","","0.1504","0.1541","","","","","","1.025","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226569","23.604","0.004","4.9826","0.0008","18.294","0.003","90","","124.204","0.003","90","","1779.4","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cl2 Hg N6 O4 -","- C34 H30 Cl2 Hg N6 O4 -","- C68 H60 Cl4 Hg2 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0486","0.0443","","","0.1062","0.1086","","","","","","1.03","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226570","10.5415","0.0004","23.0604","0.0013","35.42","0.0014","90","","90","","90","","8610.3","0.7","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C69 H78 Cl6 Hg3 N18 O15 -","- C69 H78 Cl6 Hg3 N18 O15 -","- C276 H312 Cl24 Hg12 N72 O60 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0862","0.0844","","","0.2068","0.2076","","","","","","1.005","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226571","10.229","0.003","10.526","0.004","12.346","0.004","66.68","0.01","78.973","0.011","67.688","0.01","1128","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","2","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O–H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0797","0.0495","","","0.1091","0.1227","","","","","","1.03","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226572","9.8216","0.0003","11.6073","0.0004","12.2477","0.0004","105.726","0.002","111.775","0.001","105.364","0.002","1139","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 F4 N4 O -","- C26 H22 F4 N4 O -","- C52 H44 F8 N8 O2 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O–H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0412","0.037","","","0.0917","0.0942","","","","","","1.037","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226585","10.464","0.0004","12.0162","0.0005","13.1846","0.0005","83.78","0.003","86.014","0.003","75.659","0.004","1595.12","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Eu N4 O12 -","- C28 H35 Eu N4 O12 -","- C56 H70 Eu2 N8 O24 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","0.71073","MoKα","","0.035","0.0305","","","0.0672","0.0697","","","","","","1.036","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226586","10.4702","0.0004","12.0131","0.0005","13.1765","0.0006","83.827","0.004","85.92","0.004","75.686","0.004","1594.86","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Eu N2 O10 -","- C22 H20 Eu N2 O10 -","- C44 H40 Eu2 N4 O20 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","1.54184","CuKα","","0.0292","0.0278","","","0.0725","0.0731","","","","","","1.044","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226587","8.3723","0.0005","10.0412","0.0005","15.094","0.0008","90","","90","","90","","1268.92","0.12","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 Br I3 N Pb -","- C5 H5 Br I3 N Pb -","- C20 H20 Br4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.054","0.053","","","0.1298","0.1312","","","","","","1.1","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226588","23.01","0.002","9.6665","0.0007","11.1481","0.0012","90","","107.617","0.008","90","","2363.3","0.4","180.15","","180.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.25","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0245","0.0232","","","0.0559","0.0564","","","","","","1.124","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226589","12.1436","0.0014","8.7824","0.0006","9.4776","0.0011","90","","99.676","0.009","90","","996.41","0.18","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 I4 N2 Pb -","- C10 H10 Br2 I4 N2 Pb -","- C20 H20 Br4 I8 N4 Pb2 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0782","0.0683","","","0.1872","0.2024","","","","","","1.051","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226590","12.0812","0.0011","22.6","0.002","8.8122","0.0008","90","","102.175","0.007","90","","2351.9","0.4","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.136","0.08","","","0.1879","0.214","","","","","","0.978","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226591","11.0224","0.0007","14.7278","0.0007","8.0001","0.0005","90","","100.14","0.005","90","","1278.42","0.13","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C20 H20 Cl4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0309","0.0277","","","0.07","0.0717","","","","","","1.07","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226592","20.9773","0.001","8.314","0.0003","14.4916","0.0008","90","","90","","90","","2527.4","0.2","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C40 H40 Cl8 I24 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0409","0.026","","","0.0452","0.0474","","","","","","0.871","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226593","8.6645","0.0004","22.3952","0.001","12.1729","0.0005","90","","103.179","0.003","90","","2299.86","0.18","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl4 I10 N4 Pb3 -","- C20 H20 Cl4 I10 N4 Pb3 -","- C40 H40 Cl8 I20 N8 Pb6 -","2","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0953","0.0872","","","0.215","0.2238","","","","","","1.048","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226594","14.9503","0.001","8.0231","0.0006","21.786","0.002","90","","90","","90","","2613.2","0.4","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C48 H64 I24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0281","0.0187","","","0.0348","0.0365","","","","","","0.929","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226595","7.9441","0.0006","10.5453","0.0003","15.663","0.0006","90","","90","","90","","1312.14","0.12","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C24 H32 I12 N4 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0326","0.0256","","","0.0613","0.0635","","","","","","0.975","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226596","9.1279","0.0006","8.0558","0.0004","15.7073","0.0011","90","","103.014","0.006","90","","1125.33","0.12","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C20 H20 Br16 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0435","0.0383","","","0.0927","0.0948","","","","","","0.994","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226597","8.2011","0.0005","24.015","0.002","9.0459","0.0005","90","","90","","90","","1781.6","0.2","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Br6 N2 Pb -","- C10 H10 Br6 N2 Pb -","- C40 H40 Br24 N8 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.1123","0.0805","","","0.1887","0.204","","","","","","0.955","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226598","20.1312","0.0007","8.0508","0.0003","13.6068","0.0007","90","","90","","90","","2205.28","0.16","180.15","","180.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C40 H40 Br32 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0315","0.0273","","","0.0642","0.0656","","","","","","1.022","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226599","19.8954","0.0018","8.0101","0.0006","13.5899","0.0012","90","","90","","90","","2165.7","0.3","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br3 Cl N Pb -","- C5 H5 Br3 Cl N Pb -","- C40 H40 Br24 Cl8 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0461","0.031","","","0.0651","0.069","","","","","","0.936","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226600","9.2804","0.0007","8.029","0.0004","15.4764","0.0012","90","","103.89","0.006","90","","1119.46","0.14","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C24 H32 Br12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0397","0.024","","","0.0441","0.0466","","","","","","0.877","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226601","13.842","0.003","7.74","0.0015","21.22","0.004","90","","90","","90","","2273.4","0.8","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C48 H64 Br24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0322","0.022","","","0.0454","0.0477","","","","","","0.934","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226602","18.7062","0.0012","8.1149","0.0005","28.815","0.002","90","","106.281","0.007","90","","4198.7","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C216 H176 N16 O8 -","8","1","","Mishra, Pawan K.; Verma, Akhilesh K.","Metal-free regioselective tandem synthesis of diversely substituted benzimidazo-fused polyheterocycles in aqueous medium","Green Chem.","2016","18","23","6367","","10.1039/C6GC02330D","","x-ray","0.71073","MoKα","","0.1113","0.0634","","","0.1215","0.1453","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226608","22.268","","8.67","","7.99","","90","","95.1","","90","","1536.47","","120","","120","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Acetone","Acetone","- C3 O -","- C3 O -","- C48 O16 -","16","4","","Ferrer, P.; da Silva, I.; Puente-Orench, I.","Solid acetone structure dependence on pressure: a new fibre textured thin film crystallographic structure studied by grazing-incidence X-ray diffraction","CrystEngComm","2016","18","42","8220","","10.1039/C6CE01333C","powder diffraction","x-ray","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188107","2020-10-21","18:00:00",""
"7226609","21.8891","0.0018","9.107","0.0008","32.038","0.003","90","","124.121","0.002","90","","5287.2","0.8","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 N2 O8 Tb -","- C42 H26 N2 O8 Tb -","- C168 H104 N8 O32 Tb4 -","4","1","","Yao, Qingxia; Fan, Yerong; Wang, Zhan; Duan, Wenzeng; Wang, Suna; Li, Yunwu; Li, Dacheng; Zhang, Qingfu; Du, Yuchang; Dou, Jianmin","Coexistence of self- and interpenetration in two (3,6)-connected porous coordination polymers","CrystEngComm","2016","18","44","8574","","10.1039/C6CE01705C","","","0.71073","MoKα","","0.1024","0.0548","","","0.0992","0.1051","","","","","","1.01","","","","has coordinates,has disorder","190090","2020-10-21","18:00:00",""
"7226626","18.4148","0.0009","29.5574","0.0015","16.3155","0.0008","90","","119.269","0.001","90","","7746.7","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 N2 Na6 O51 -","- C104 H66 Cd6 N2 Na6 O51 -","- C208 H132 Cd12 N4 Na12 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0552","0.0406","","","0.1128","0.1234","","","","","","1.025","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226627","18.9895","0.0013","28.481","0.002","16.9587","0.0018","90","","119.896","0.002","90","","7951.4","1.2","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H48 Cd6 K2 Na4 O51 -","- C96 H48 Cd6 K2 Na4 O51 -","- C192 H96 Cd12 K4 Na8 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0899","0.0549","","","0.1456","0.1707","","","","","","1.048","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226628","19.2145","0.0017","26.4088","0.0017","17.7174","0.0012","90","","118.431","0.002","90","","7906.1","1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H49 Cd3 K3 N4 O29 -","- C63 H49 Cd3 K3 N4 O29 -","- C252 H196 Cd12 K12 N16 O116 -","4","0.5","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0979","0.0697","","","0.1629","0.1934","","","","","","1.072","","","","has coordinates,has disorder","188102","2020-10-21","18:00:00",""
"7226629","18.5166","0.0007","29.4652","0.0008","16.385","0.0004","90","","119.388","0.003","90","","7789.2","0.5","294.39","","294.39","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 Mg6 N2 O57 -","- C104 H66 Cd6 Mg6 N2 O57 -","- C208 H132 Cd12 Mg12 N4 O114 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","1.54178","CuKα","","0.0836","0.0624","","","0.1628","0.1829","","","","","","1.031","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226630","19.999","0.0011","18.6284","0.0011","35.123","0.002","90","","90","","90","","13085.1","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H67 Ca2 Cd4 N5 O35 -","- C76 H67 Ca2 Cd4 N5 O35 -","- C304 H268 Ca8 Cd16 N20 O140 -","4","1","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.083","0.0736","","","0.1774","0.1819","","","","","","1.05","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226631","20.8809","0.001","10.6287","0.0004","16.6021","0.0007","90","","115.3","0.005","90","","3331.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd N4 O5 -","- C14 H18 Cd N4 O5 -","- C112 H144 Cd8 N32 O40 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0375","0.0289","","","0.0626","0.0675","","","","","","1.006","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226632","7.5703","0.0005","7.9467","0.0005","10.1633","0.0007","76.859","0.006","81.936","0.006","68.543","0.006","553.03","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 Cd N3 O6 -","- C7 H11 Cd N3 O6 -","- C14 H22 Cd2 N6 O12 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0256","0.0228","","","0.0546","0.0561","","","","","","1.064","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226633","9.3607","0.0004","8.3293","0.0004","15.9905","0.001","90","","113.611","0.004","90","","1142.38","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H13 Cd N2 O4 -","- C10 H13 Cd N2 O4 -","- C40 H52 Cd4 N8 O16 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0453","0.0316","","","0.0796","0.0931","","","","","","1.042","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226634","5.1689","0.0004","8.3362","0.0007","9.9402","0.0008","102.695","0.007","95.013","0.007","93.047","0.007","415.09","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","1","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0305","0.03","","","0.0697","0.0702","","","","","","1.059","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226635","17.6907","0.0005","16.1672","0.0004","16.8283","0.0004","90","","90","","90","","4813","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Cd N4 O7 -","- C18 H34 Cd N4 O7 -","- C144 H272 Cd8 N32 O56 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0786","0.0631","","","0.2166","0.2317","","","","","","1.019","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226636","8.8482","0.0005","10.5491","0.0005","12.8133","0.0006","86.422","0.004","73.769","0.004","83.139","0.004","1139.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cd2 N6 O8 -","- C19 H21 Cd2 N6 O8 -","- C38 H42 Cd4 N12 O16 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0349","0.0271","","","0.0566","0.0615","","","","","","1.015","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226637","28.3889","0.0016","7.3715","0.0005","9.0819","0.0005","90","","92.276","0.005","90","","1899.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Cd N2 O4 -","- C8 H9 Cd N2 O4 -","- C64 H72 Cd8 N16 O32 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0255","0.0232","","","0.0603","0.0622","","","","","","1.025","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226638","8.3519","0.0003","10.8757","0.0008","18.006","0.001","106.753","0.006","91.98","0.004","94.345","0.004","1558.89","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H45 Cd N6 O9 -","- C24 H45 Cd N6 O9 -","- C48 H90 Cd2 N12 O18 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0867","0.0663","","","0.1677","0.1858","","","","","","1.054","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226639","12.403","0.004","19.548","0.007","18.963","0.007","90","","103.787","0.006","90","","4465","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Dy4 N10 O34 -","- C74 H84 Co2 Dy4 N10 O34 -","- C148 H168 Co4 Dy8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0562","0.0324","","","0.0763","0.085","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226640","12.4424","0.0019","19.73","0.003","19.024","0.003","90","","104.094","0.002","90","","4529.6","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Eu4 N10 O34 -","- C74 H84 Co2 Eu4 N10 O34 -","- C148 H168 Co4 Eu8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0702","0.0385","","","0.0918","0.1059","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226641","12.443","0.003","19.742","0.004","19.009","0.004","90","","104.077","0.003","90","","4529.3","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Gd4 N10 O34 -","- C74 H84 Co2 Gd4 N10 O34 -","- C148 H168 Co4 Gd8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.069","0.046","","","0.1184","0.132","","","","","","0.995","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226642","12.371","0.002","19.544","0.003","18.941","0.003","90","","103.988","0.003","90","","4443.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 N10 O34 Tb4 -","- C74 H84 Co2 N10 O34 Tb4 -","- C148 H168 Co4 N20 O68 Tb8 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0923","0.047","","","0.0907","0.1059","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226643","11.717","0.006","17.333","0.009","8.824","0.005","90","","106.29","0.006","90","","1720.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N8 O6 -","- C34 H36 N8 O6 -","- C68 H72 N16 O12 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.2952","Synchrotron","","0.0809","0.0678","","","0.2034","0.2189","","","","","","1.113","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226644","13.022","0.002","17.377","0.003","8.6788","0.0015","90","","102.255","0.004","90","","1919.1","0.6","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N6 O10 S2 -","- C34 H42 N6 O10 S2 -","- C68 H84 N12 O20 S4 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1987","0.1145","","","0.2724","0.363","","","","","","1.003","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226645","29.138","0.011","8.033","0.002","21.635","0.008","90","","118.774","0.007","90","","4439","3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N8 O10 -","- C42 H48 N8 O10 -","- C168 H192 N32 O40 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2229","0.089","","","0.1798","0.2361","","","","","","0.977","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226646","29.227","0.011","7.997","0.003","21.68","0.008","90","","119.615","0.007","90","","4405","3","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H48 N8 O11 -","- C41 H45 N8 O11 -","- C164 H180 N32 O44 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1474","0.0967","","","0.238","0.2725","","","","","","1.063","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226647","29.25","0.012","7.997","0.003","21.648","0.009","90","","120.242","0.009","90","","4375","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N8 O12 -","- C40 H40 N8 O12 -","- C160 H160 N32 O48 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2658","0.1178","","","0.2771","0.3762","","","","","","0.988","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226648","29.177","0.01","7.999","0.002","21.586","0.007","90","","119.075","0.007","90","","4403","2","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.56 H48 N8 O10.44 -","- C41.564 H46.692 N8 O10.436 -","- C166.256 H186.768 N32 O41.744 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2146","0.1105","","","0.2591","0.3272","","","","","","1.083","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226649","19.3577","0.0013","19.3577","0.0013","11.0242","0.0015","90","","90","","90","","4131","0.7","293","2","293","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C28 H20 Cu8 I4 N4 O20 -","- C28 H12 Cu8 I4 N4 O20 -","- C56 H24 Cu16 I8 N8 O40 -","2","0.125","","Wang, Guoming; Xue, Zhenzhen; Pan, Jie; Wei, Li; Han, Songde; Qian, Jinjie; Wang, Zonghua","Ligand-oriented assembly of a porous metal‒organic framework by [CuI4I4] clusters and paddle-wheel [CuII2(COO)4(H2O)2] subunits","CrystEngComm","2016","18","43","8362","","10.1039/C6CE01954D","","","0.71073","MoKα","","0.0791","0.07","","","0.1972","0.2075","","","","","","1.012","","","","has coordinates","188087","2020-10-21","18:00:00",""
"7226658","12.572","0.003","16.149","0.004","19.077","0.005","90","","100.52","0.005","90","","3808","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 O6.5 Pb S2 -","- C35 H31 N7 O6.5 Pb S2 -","- C140 H124 N28 O26 Pb4 S8 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.1513","0.0551","","","0.1082","0.1477","","","","","","1.022","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226659","14.5188","0.0004","7.6162","0.0002","27.7076","0.0007","90","","102.505","0.002","90","","2991.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N7 O7 S2 Sn -","- C25 H29 N7 O7 S2 Sn -","- C100 H116 N28 O28 S8 Sn4 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0603","0.0415","","","0.0735","0.078","","","","","","1.102","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226660","10.0349","0.0003","15.1394","0.0005","26.2883","0.0009","90","","97.571","0.002","90","","3959","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H37 N9 O6 S2 Sn -","- C39 H37 N9 O6 S2 Sn -","- C156 H148 N36 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.021","0.019","","","0.0455","0.0464","","","","","","1.045","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226661","14.6879","0.0003","18.3871","0.0004","12.6439","0.0003","90","","90","","90","","3414.71","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H31 N7 O6 S2 Sn -","- C35 H31 N7 O6 S2 Sn -","- C140 H124 N28 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0309","0.0248","","","0.0566","0.0586","","","","","","1.052","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226662","10.3584","0.001","10.854","0.001","10.4469","0.001","90","","108.403","0.002","90","","1114.48","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 1)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C40 H52 F4 N8 O20 -","4","2","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0433","0.0418","","","0.1038","0.1049","","","","","","1.041","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226663","8.9716","0.0009","5.3099","0.0005","11.8624","0.0011","90","","105.98","0.002","90","","543.27","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 2)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C20 H26 F2 N4 O10 -","2","1","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0295","0.0293","","","0.0767","0.0769","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226664","10.4391","0.0013","16.017","0.002","13.8687","0.0018","90","","101.604","0.002","90","","2271.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 3)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","4","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0419","0.0355","","","0.0831","0.0862","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226665","17.6078","0.0006","15.0214","0.0005","18.074","0.0006","90","","90","","90","","4780.5","0.3","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Ag F18 N4 P -","- C14 H12 Ag F18 N4 P -","- C112 H96 Ag8 F144 N32 P8 -","8","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.0687","0.0426","","","0.0873","0.099","","","","","","1.145","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226666","9.6624","0.0019","14.99","0.003","12.85","0.003","90","","93.695","0.003","90","","1857.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Ag F18 N2 P -","- C10 H6 Ag F18 N2 P -","- C40 H24 Ag4 F72 N8 P4 -","4","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.034","0.0227","","","0.0494","0.0552","","","","","","1.068","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226667","12.8087","0.0016","10.5095","0.0014","16.822","0.002","90","","100.596","0.002","90","","2225.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Ag F18 N2 P -","- C16 H10 Ag F18 N2 P -","- C64 H40 Ag4 F72 N8 P4 -","4","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.0243","0.0194","","","0.0438","0.0466","","","","","","0.964","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226670","9.5392","0.0007","12.9758","0.0009","13.6796","0.0009","95.066","0.006","96.544","0.006","107.057","0.006","1595","0.2","298","","298","2","","","","","","","","5","P -1","-P 1","2","","Ps Ai 1","","- C36.75 H35 Br N2 O -","- C36.75 H35 Br N2 O -","- C73.5 H70 Br2 N4 O2 -","2","1","","Sarkar, Piyali; Mukhopadhyay, Chhanda","The synthesis of new 8-imino-1-one acridine derivatives catalyzed by a calix[4]arene mono-acid core","Green Chem.","2016","18","24","6556","","10.1039/C6GC02144A","","x-ray","1.54184","CuKα","","0.0979","0.0696","","","0.193","0.2061","","","","","","1.149","","","","has coordinates","190220","2020-10-21","18:00:00",""
"7226671","26.576","0.002","14.451","0.002","27.285","0.002","90","","111.21","0.04","90","","9769","3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Gua5[EuDOTMP]*12.5H2O","","","- C17 H79 Eu N19 O24.5 P4 -","- C17 H46 Eu N19 O24.5 P4 -","- C136 H368 Eu8 N152 O196 P32 -","8","2","","Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna","The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.","Physical chemistry chemical physics : PCCP","2016","18","40","27808","27817","10.1039/c6cp05284c","","","0.71073","MoKα","","0.0628","0.0518","","","0.1507","0.1627","","","","","","1.16","","","","has coordinates","188319","2020-10-21","18:00:00",""
"7226672","12.5231","0.001","12.5231","0.001","24.8781","0.0004","90","","90","","90","","3901.6","0.4","100","2","100","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C12 H46 Eu K5 N4 O23 P4 -","- C12 H24 Eu K5 N4 O23 P4 -","- C48 H96 Eu4 K20 N16 O92 P16 -","4","0.5","","Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna","The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.","Physical chemistry chemical physics : PCCP","2016","18","40","27808","27817","10.1039/c6cp05284c","","","0.71073","MoKα","","0.0532","0.0447","","","0.134","0.1399","","","","","","1.19","","","","has coordinates","188319","2020-10-21","18:00:00",""
"7226673","10.1347","0.0004","10.8799","0.0005","12.0819","0.0005","90","","101.789","0.002","90","","1304.1","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O5 -","- C15 H14 N O5 -","- C60 H56 N4 O20 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0899","0.0527","","","0.1347","0.1603","","","","","","0.804","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226674","11.6691","0.0009","6.8681","0.0005","14.3968","0.0009","90","","95.62","0.005","90","","1148.28","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1009","0.0524","","","0.1293","0.1665","","","","","","0.79","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226675","15.589","0.0013","5.2685","0.0004","12.4962","0.001","90","","90","","90","","1026.32","0.14","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.2077","0.0422","","","0.1343","0.1713","","","","","","1.114","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226676","9.4702","0.0002","15.5487","0.0003","18.2269","0.0004","90","","102.059","0.0013","90","","2624.67","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 N2 O6 -","- C58 H80 N2 O6 -","- C116 H160 N4 O12 -","2","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0569","0.0435","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226677","10.977","0.003","12.112","0.004","16.439","0.005","90","","90","","90","","2185.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0586","0.0418","","","0.1127","0.1294","","","","","","0.868","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226678","10.5317","0.0011","8.5508","0.0008","21.75","0.002","90","","91.055","0.007","90","","1958.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 O4 S2 -","- C19 H17 N5 O4 S2 -","- C76 H68 N20 O16 S8 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1539","0.0548","","","0.1443","0.1908","","","","","","0.75","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226679","12.3648","0.0003","7.733","0.0002","19.4502","0.0004","90","","114.44","0.001","90","","1693.13","0.07","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal–solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0469","0.0409","","","0.1013","0.1069","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226680","7.7154","0.0002","9.5901","0.0003","22.5595","0.0006","90","","90","","90","","1669.21","0.08","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal–solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0421","0.037","","","0.0959","0.0999","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226681","7.723","0.0002","9.6004","0.0003","22.5562","0.0007","90","","90","","90","","1672.4","0.09","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal–solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0391","0.0346","","","0.0996","0.1053","","","","","","0.98","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226684","51.107","0.013","9.448","0.003","18.492","0.005","90","","102.189","0.007","90","","8728","4","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","UBMOF-3","","- C101 H61.01 N7 O27 Zn6 -","- C101 H61 N7 O27 Zn6 -","- C202 H122 N14 O54 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1527","0.1054","","","0.2852","0.3082","","","","","","1.039","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226685","39.751","0.004","9.7399","0.0011","18.388","0.002","90","","91.374","0.004","90","","7117.2","1.3","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H48 N4 O24 S4 Zn6 -","- C112 H48 N4 O24 S4 Zn6 -","- C224 H96 N8 O48 S8 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1081","0.079","","","0.2163","0.2305","","","","","","1.087","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226686","10.3907","0.0002","11.7359","0.0003","14.0932","0.0003","68.809","0.005","86.046","0.006","86.623","0.006","1597.49","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N2 O5 P S -","- C35 H38 N2 O5 P S -","- C70 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0401","0.0347","","","0.0875","0.092","","","","","","1.091","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226687","11.3672","0.0002","8.53265","0.00015","45.911","0.003","90","","90","","90","","4453","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H40 N2 O8 S17 -","- C31 H40 N2 O8 S17 -","- C124 H160 N8 O32 S68 -","4","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0391","0.0342","","","0.0765","0.0784","","","","","","1.093","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226695","15.63","0.0011","12.6171","0.0007","5.4481","0.0004","90","","92.926","0.007","90","","1072.99","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 Ca O5 -","- C8 H4 Br2 Ca O5 -","- C32 H16 Br8 Ca4 O20 -","4","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0446","0.0365","","","0.0819","0.0896","","","","","","1.096","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226696","11.0693","0.0005","12.9647","0.0003","13.6267","0.0004","90","","90","","90","","1955.57","0.11","293","2","293","2","","","","","","","","6","P n n n","-P 2ab 2bc","48","","","","- C40 H30 Br4 Ca N4 O8 -","- C40 H30 Br4 Ca N4 O8 -","- C80 H60 Br8 Ca2 N8 O16 -","2","","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0476","0.0347","","","0.0796","0.0864","","","","","","1.035","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226697","10.0545","0.0006","11.5943","0.0006","12.401","0.0007","74.417","0.005","84.716","0.005","83.3","0.005","1380.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","1","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0464","0.0342","","","0.0732","0.0791","","","","","","1.044","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226698","7.7834","0.0004","10.1301","0.0005","10.3277","0.0008","103.873","0.005","91.797","0.005","90.935","0.004","789.92","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br2 Ca N O6 -","- C13 H10 Br2 Ca N O6 -","- C26 H20 Br4 Ca2 N2 O12 -","2","1","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0479","0.0354","","","0.0679","0.0736","","","","","","1.043","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226699","10.1252","0.0003","10.2626","0.0004","13.4382","0.0005","97.847","0.001","97.577","0.001","113.879","0.002","1237.61","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N5 O -","- C32 H24 N5 O -","- C64 H48 N10 O2 -","2","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","0.71073","MoKα","","0.0633","0.0498","","","0.118","0.1274","","","","","","1.018","","","","has coordinates","188318","2020-10-21","18:00:00",""
"7226700","19.1687","0.0002","16.52","0.0003","17.427","0.0003","90","","123.08","0.001","90","","4624.05","0.14","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N4 O Si -","- C25 H23 N4 O Si -","- C200 H184 N32 O8 Si8 -","8","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","0.71073","MoKα","","0.0914","0.0631","","","0.1138","0.1306","","","","","","1.096","","","","has coordinates,has disorder","188318","2020-10-21","18:00:00",""
"7226701","10.513","0.001","18.2406","0.0006","10.6648","0.0006","90","","119.261","0.004","90","","1784.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N4 O -","- C22 H15 N4 O -","- C88 H60 N16 O4 -","4","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","1.54178","CuKα","","0.0681","0.0462","","","0.1115","0.1274","","","","","","1.035","","","","has coordinates","188318","2020-10-21","18:00:00",""
"7226709","8.0388","0.0006","9.3156","0.0011","12.0288","0.0013","90","","90.792","0.008","90","","900.71","0.16","375","2","375","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Al N2 Na O12 -","- C10 H22 Al N2 Na O12 -","- C20 H44 Al2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","x-ray","0.71073","MoKα","","0.0931","0.0543","","","0.1201","0.1456","","","","","","1.033","","","","has coordinates,has disorder","188320","2020-10-21","18:00:00",""
"7226710","8.0343","0.0003","9.231","0.0004","11.9465","0.0005","90","","90.966","0.003","90","","885.88","0.06","270","2","270","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Al N2 Na O12 -","- C10 H22 Al N2 Na O12 -","- C20 H44 Al2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","x-ray","0.71073","MoKα","","0.0661","0.05","","","0.0932","0.1047","","","","","","1.039","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226711","8.10474","0.00009","9.26392","0.00011","12.04593","0.00014","90","","91.1766","0.001","90","","904.238","0.018","297","2","297","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","","0.71073","MoKα","","0.0295","0.0247","","","0.0576","0.06","","","","","","1.178","","","","has coordinates","188320","2020-10-21","18:00:00",""
"7226712","8.1066","0.0006","9.3455","0.0011","12.1283","0.0013","90","","91.062","0.008","90","","918.68","0.16","400","2","400","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","","0.71073","MoKα","","0.0622","0.0407","","","0.0954","0.1039","","","","","","1.056","","","","has coordinates,has disorder","188320","2020-10-21","18:00:00",""
"7226714","14.5618","0.0003","16.5325","0.0004","31.0145","0.0007","90","","100.296","0.0009","90","","7346.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 F6 O4 S2 -","- C41 H34 F6 O4 S2 -","- C328 H272 F48 O32 S16 -","8","2","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.049","0.0464","","","0.1175","0.1197","","","","","","1.067","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226715","15.0294","0.0002","15.1977","0.0002","10.6992","0.0001","90","","107.778","0.0005","90","","2327.13","0.05","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 F6 O4 S2 -","- C25 H18 F6 O4 S2 -","- C100 H72 F24 O16 S8 -","4","0.5","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.0372","0.0371","","","0.0964","0.0965","","","","","","1.035","","","","has coordinates","186974","2020-10-21","18:00:00",""
"7226726","14.697","0.003","6.6112","0.0011","17.826","0.003","90","","96.96","0.004","90","","1719.3","0.5","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-Diphenyl(styryl)phosphine sulfide","","- C20 H17 P S -","- C20 H17 P S -","- C80 H68 P4 S4 -","4","1","","Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco","Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes","Green Chem.","2016","18","18","4896","","10.1039/C6GC00903D","","","0.71073","MoKα","","0.0538","0.0395","","","0.097","0.1062","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226727","5.719","0.0003","17.9432","0.001","9.0209","0.0005","90","","99.0333","0.0015","90","","914.22","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-[(4-Isopropylcyclohex-1-en-1-yl)methyl]diphenylphosphine oxide","","- C22 H27 O P -","- C22 H27 O P -","- C44 H54 O2 P2 -","2","1","","Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco","Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes","Green Chem.","2016","18","18","4896","","10.1039/C6GC00903D","","","1.54178","CuKα","","0.0308","0.0305","","","0.0741","0.0744","","","","","","1.123","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226728","16.6796","0.0002","16.6796","0.0002","11.9659","0.0002","90","","90","","90","","3329.02","0.08","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C60 H84 N4 O12 S8 -","- C60 H80 N4 O12 S8 -","- C120 H160 N8 O24 S16 -","2","0.25","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0743","0.0523","","","0.1536","0.1763","","","","","","1.052","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226729","12.7393","0.0003","15.3611","0.0003","17.4026","0.0004","64.301","0.001","82.054","0.001","80.592","0.001","3018.67","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 O8 S8 -","- C56 H72 O8 S8 -","- C112 H144 O16 S16 -","2","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1074","0.0573","","","0.13","0.1552","","","","","","1.03","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226730","15.1566","0.0009","13.6474","0.0007","28.4065","0.0019","90","","92.503","0.002","90","","5870.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H73 Cl3 O12 S4 -","- C57 H73 Cl3 O12 S4 -","- C228 H292 Cl12 O48 S16 -","4","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1787","0.0943","","","0.2132","0.2653","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226731","12.2472","0.0003","15.6106","0.0004","20.633","0.0006","92.39","0.002","96.895","0.001","96.801","0.001","3882.4","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H150 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","1","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0854","0.0616","","","0.1956","0.2153","","","","","","1.105","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226732","41.2998","0.0017","16.5977","0.0007","29.4977","0.0011","90","","125.525","0.001","90","","16456.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H196 N16 O21 S16 -","- C138 H196 N16 O21 S16 -","- C552 H784 N64 O84 S64 -","4","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2029","0.1084","","","0.2986","0.3609","","","","","","1.045","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226733","40.449","0.01","10.2346","0.0017","33.844","0.008","90","","90","","90","","14011","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H76 N8 O12 S4 -","- C76 H76 N8 O12 S4 -","- C608 H608 N64 O96 S32 -","8","2","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2248","0.0887","","","0.1599","0.1925","","","","","","1.026","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226734","11.0804","0.0005","22.8508","0.001","19.1244","0.0006","90","","105.727","0.001","90","","4660.9","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H112 N8 O10 S8 -","- C92 H104 N8 O10 S8 -","- C184 H208 N16 O20 S16 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2288","0.1264","","","0.2812","0.3383","","","","","","1.019","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226735","33.2961","0.001","11.7323","0.0003","20.7114","0.0005","90","","114.114","0.001","90","","7384.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C133 H186 N8 O18 S16 -","- C133 H184 N8 O18 S16 -","- C266 H368 N16 O36 S32 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0951","0.066","","","0.1821","0.2051","","","","","","1.021","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226738","5.6838","0.0009","11.4266","0.0019","13.585","0.002","90","","95.904","0.004","90","","877.6","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cu3 O16 S2 -","- C6 H20 Cu3 O16 S2 -","- C12 H40 Cu6 O32 S4 -","2","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0667","0.0574","","","0.1457","0.1598","","","","","","1.188","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226739","5.608","0.0004","8.6585","0.0007","17.5909","0.0019","88.075","0.005","89.276","0.005","77.558","0.005","833.62","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0351","0.0315","","","0.0784","0.0811","","","","","","1.044","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226740","5.7415","0.0004","8.794","0.0006","27.737","0.002","83.89","0.004","89.704","0.005","80.177","0.004","1371.97","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cu3 O16 S2 -","- C18 H30 Cu3 O16 S2 -","- C36 H60 Cu6 O32 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0498","0.0367","","","0.089","0.0936","","","","","","0.912","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226741","5.766","0.002","8.639","0.004","15.848","0.007","101.4","0.007","99.046","0.009","100.39","0.011","745.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0466","0.0402","","","0.1254","0.1434","","","","","","1.145","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226742","17.2932","0.0013","5.7712","0.0002","31.2089","0.0019","90","","93.088","0.004","90","","3110.2","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu3 O17 S2 -","- C24 H30 Cu3 O17 S2 -","- C96 H120 Cu12 O68 S8 -","4","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0756","0.0489","","","0.1018","0.1166","","","","","","1.052","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226743","5.6096","0.0002","8.9824","0.0006","12.1172","0.0009","86.288","0.006","77.183","0.006","77.676","0.006","581.53","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0333","0.0298","","","0.0752","0.0774","","","","","","1.101","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226744","9.2709","0.0007","10.6339","0.0017","11.848","0.002","82.673","0.016","70.523","0.014","69.251","0.012","1029.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cu3 O14 S2 -","- C14 H18 Cu3 O14 S2 -","- C28 H36 Cu6 O28 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0388","0.031","","","0.0782","0.0864","","","","","","0.983","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226745","14.2783","0.0002","9.93551","0.00015","14.7043","0.0003","90","","99.5877","0.0017","90","","2056.85","0.06","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AP/B18C6 cocrystal","","- C16 H28 Cl N O10 -","- C16 H28 Cl N O10 -","- C64 H112 Cl4 N4 O40 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0774","0.0706","","","0.2059","0.2167","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226746","12.6348","0.0002","12.918","0.0002","20.7752","0.0003","90","","107.36","0.0017","90","","3236.39","0.09","294.39","0.1","294.39","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AP/DB18C6 cocrystal","","- C30 H40 Cl N O13 -","- C30 H40 Cl N O13 -","- C120 H160 Cl4 N4 O52 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0894","0.0823","","","0.248","0.26","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226747","21.9447","0.0009","8.6823","0.0003","22.5551","0.0011","90","","118.257","0.006","90","","3785.3","0.3","176.41","0.1","176.41","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AP/18C6","cocrystal","","- C12 H28 Cl N O10 -","- C12 H28 Cl N O10 -","- C96 H224 Cl8 N8 O80 -","8","2","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0672","0.0585","","","0.1616","0.1727","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226748","18.0441","0.0008","18.0441","0.0008","8.3135","0.0007","90","","90","","90","","2706.8","0.3","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H20 Dy N8 Na O8 -","- C24 H20 Dy N8 Na O8 -","- C96 H80 Dy4 N32 Na4 O32 -","4","","","Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Multifunctional applications of a dysprosium-based metal–organic chain with single-ion magnet behaviour","CrystEngComm","2016","18","45","8718","","10.1039/C6CE01810F","","","0.71069","MoKα","","0.0719","0.0459","","","0.1205","0.1508","","","","","","1.231","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226749","7.3261","0.0005","20.1659","0.0012","13.1676","0.0008","90","","102.555","0.007","90","","1898.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-methoxypyridin-3-yl)-1,1-dimethylurea","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C72 H104 N24 O16 -","8","2","","Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.","Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides","Green Chem.","2016","18","24","6630","","10.1039/C6GC02556K","","","0.71073","MoKα","","0.0737","0.0542","","","0.1212","0.1325","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226750","4.18964","0.00013","21.1953","0.0008","10.4364","0.0004","90","","95.814","0.003","90","","921.99","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(6-bromopyridin-2-yl)-1,1-dimethylurea","","- C8 H10 Br N3 O -","- C8 H10 Br N3 O -","- C32 H40 Br4 N12 O4 -","4","1","","Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.","Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides","Green Chem.","2016","18","24","6630","","10.1039/C6GC02556K","","","0.71073","MoKα","","0.0657","0.0503","","","0.0946","0.1016","","","","","","1.132","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226751","4.1274","0.0003","20.8167","0.0012","10.4887","0.0006","90","","95.909","0.005","90","","896.39","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(6-chloropyridin-2-yl)-1,1-dimethylurea","","- C8 H10 Cl N3 O -","- C8 H10 Cl N3 O -","- C32 H40 Cl4 N12 O4 -","4","1","","Rassadin, Valentin A.; Zimin, Dmitry P.; Raskil'dina, Gulnara Z.; Ivanov, Alexander Yu.; Boyarskiy, Vadim P.; Zlotskii, Semen S.; Kukushkin, Vadim Yu.","Solvent- and halide-free synthesis of pyridine-2-yl substituted ureas through facile C–H functionalization of pyridine N-oxides","Green Chem.","2016","18","24","6630","","10.1039/C6GC02556K","","","0.71073","MoKα","","0.0552","0.0416","","","0.0926","0.1028","","","","","","1.075","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226761","10.2321","0.0004","11.9576","0.0005","12.27","0.0005","91.001","0.001","99.561","0.001","100.188","0.001","1455.36","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0557","0.0405","","","0.0942","0.1017","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226762","8.6636","0.0004","11.9452","0.0006","14.3305","0.0007","100.527","0.002","90.917","0.002","95.64","0.002","1450.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0883","0.0628","","","0.139","0.1495","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226763","7.6956","0.0002","12.3234","0.0004","15.6647","0.0005","82.079","0.001","86.38","0.001","84.459","0.001","1462.66","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0609","0.0457","","","0.1047","0.1122","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226766","10.7602","0.0007","10.3933","0.0006","21.0922","0.0011","90","","113.25","0.003","90","","2167.3","0.2","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H12.5 Eu N2.5 O13.5 Zn -","- C18 H11.5 Eu N2.5 O13.5 Zn -","- C72 H46 Eu4 N10 O54 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0236","0.0207","","","0.0499","0.0515","","","","","","1.006","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226767","12.4323","0.0017","12.9418","0.0018","15.241","0.002","90","","95.588","0.002","90","","2440.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0305","0.0272","","","0.0663","0.068","","","","","","1.071","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226768","12.4296","0.0012","12.9364","0.0012","15.1888","0.0014","90","","95.66","0.001","90","","2430.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H12 N3 O15 Tb Zn -","- C88 H48 N12 O60 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.026","0.0228","","","0.0555","0.0571","","","","","","1.084","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226769","16.8984","0.0011","24.3162","0.0016","22.832","0.0015","90","","99.333","0.001","90","","9257.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C256 H124 Eu8 N36 O152 Zn16 -","8","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0536","0.0413","","","0.1279","0.1376","","","","","","1.027","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226770","10.4803","0.0011","17.8855","0.0019","17.8364","0.0018","90","","105.744","0.001","90","","3217.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0509","0.0366","","","0.1112","0.1195","","","","","","1.061","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226771","11.589","0.003","17.792","0.005","16.441","0.005","90","","109.73","0.004","90","","3191","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H10 N3 O16 Tb Zn -","- C88 H40 N12 O64 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.1304","0.081","","","0.2199","0.27","","","","","","1.065","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226772","7.034","","14.9894","0.0001","13.8939","0.0001","90","","96.387","0.001","90","","1455.82","0.015","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.","Physical chemistry chemical physics : PCCP","2016","18","41","28802","28818","10.1039/c6cp02690g","","","0.71073","MoKα","","0.0427","0.0348","","","0.0974","0.1021","","","","","","1.045","","","","has coordinates","188312","2020-10-21","18:00:00",""
"7226773","10.3465","0.0001","12.7126","0.0001","12.8098","0.0001","102.78","0.001","99.985","0.001","108.728","0.001","1500.67","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Piroxicam monohydrate","Piroxicam monohydrate","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","2","","Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.","Physical chemistry chemical physics : PCCP","2016","18","41","28802","28818","10.1039/c6cp02690g","","","0.71073","MoKα","","0.0515","0.0367","","","0.1011","0.1121","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226779","14.649","0.0007","14.7296","0.0007","23.2685","0.0012","103.447","0.001","96.362","0.002","91.092","0.002","4847.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Os(H)(CO)(bpy)(tpp)2]+.PF6-.C7 H8","","","- C54 H47 F6 N2 O Os P6 -","- C54 H46.5 F6 N2 O Os P3 -","- C216 H186 F24 N8 O4 Os4 P12 -","4","2","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.","Physical chemistry chemical physics : PCCP","2016","18","41","28982","28996","10.1039/c6cp05856f","","","0.71073","MoKα","","0.0558","0.0441","","","0.0859","0.0886","","","","","","1.286","","","","has coordinates,has disorder","188313","2020-10-21","18:00:00",""
"7226780","28.557","0.002","28.557","0.002","11.9682","0.0009","90","","90","","90","","9760.1","1.2","100","2","100","2","","","","","","","","8","P 42/n","-P 4bc","86","[Os(Cl)(CO)(bpy)(tpp)2]+.PF6-.0.5toluene","","","- C50.5 H42 Cl F6 N2 O Os P3 -","- C50.5 H42 Cl F6 N2 O Os P2.8125 -","- C404 H336 Cl8 F48 N16 O8 Os8 P22.5 -","8","","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.","Physical chemistry chemical physics : PCCP","2016","18","41","28982","28996","10.1039/c6cp05856f","","","0.71073","MoKα","","0.0686","0.0486","","","0.0842","0.0895","","","","","","1.108","","","","has coordinates,has disorder","188313","2020-10-21","18:00:00",""
"7226781","16.1119","0.0011","7.0151","0.0006","21.1805","0.0014","90","","96.396","0.005","90","","2379.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Co N4 O4 -","- C26 H34 Co N4 O4 -","- C104 H136 Co4 N16 O16 -","4","1","","Peng, Yan; Bodenstein, Tilmann; Fink, Karin; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy of a Co(II) single ion magnet with distorted trigonal prismatic coordination: theory and experiment.","Physical chemistry chemical physics : PCCP","2016","18","43","30135","30143","10.1039/c6cp03157a","","","0.71073","MoKα","","0.0415","0.0326","","","0.0842","0.0867","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226788","7.8028","0.0006","17.6121","0.0012","18.6177","0.0012","90","","90","","90","","2558.5","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N3 O4 S -","- C28 H37 N3 O4 S -","- C112 H148 N12 O16 S4 -","4","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0399","0.0352","","","0.0837","0.086","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226789","7.3761","0.0005","17.7987","0.0015","9.5359","0.0009","90","","98.633","0.006","90","","1237.74","0.18","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 S -","- C25 H37 N3 O5 S -","- C50 H74 N6 O10 S2 -","2","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0644","0.0462","","","0.114","0.1345","","","","","","0.825","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226790","15.6898","0.0004","10.314","0.0002","13.7275","0.0003","90","","90","","90","","2221.45","0.09","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","methoxyphenyl phenyl benzo cyclohepta benzofuran","6-(2-methoxyphenyl)-5a-phenyl-5aH-benzo[4,5]cyclohepta[1,2-b]benzofuran","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","1","","Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson","The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans","Green Chem.","2016","18","24","6648","","10.1039/C6GC02423H","","","1.54178","CuKα","","0.0294","0.0291","","","0.0753","0.0757","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226791","11.309","0.002","12.473","0.003","16.361","0.004","111.827","0.018","92.561","0.018","104.099","0.012","2054.3","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","fluorophenyl phenyl benzo cyclohepta benzofuran","5a-(4- fluorophenyl)-6- phenyl-5aH-benzo[4,5]cyclohepta[1,2-b]benzofuran","","- C29 H19 F O -","- C29 H19 F O -","- C116 H76 F4 O4 -","4","2","","Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson","The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans","Green Chem.","2016","18","24","6648","","10.1039/C6GC02423H","","","1.54178","CuKα","","0.1016","0.0508","","","0.1069","0.1292","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226792","9.5556","0.0017","18.935","0.003","11.627","0.003","90","","96.866","0.008","90","","2088.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","chlorophenyl phenyl benzo cyclohepta benzofuran","5a-(4-chlorophenyl)-6-phenyl-5aH-benzo[4,5]cyclohepta[1,2-b]benzofuran","","- C29 H19 Cl O -","- C29 H19 Cl O -","- C116 H76 Cl4 O4 -","4","1","","Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson","The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans","Green Chem.","2016","18","24","6648","","10.1039/C6GC02423H","","","0.71073","MoKα","","0.1013","0.0626","","","0.1381","0.1546","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226831","7.161","0.0002","7.161","0.0002","8.0474","0.0004","90","","90","","120","","357.38","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0604","0.0499","","","0.1216","0.1369","","","","","","1.239","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226832","7.1208","0.0006","7.1208","0.0006","8.0513","0.0004","90","","90","","120","","353.55","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0682","0.0496","","","0.1086","0.1276","","","","","","1.1","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226833","6.306","0.013","8.0599","0.0014","7.25","0.013","90","","115.6","0.2","90","","332.3","1.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.41168","synchrotron","","0.1801","0.1111","","","0.1271","0.1417","","","","2.97","2.97","2.19","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226834","7.2864","0.00016","7.2864","0.00016","8.05248","0.00018","90","","90","","120","","370.243","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0257","0.021","","","0.0448","0.0455","","","","","","1.169","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226835","7.26097","0.00016","7.26097","0.00016","8.0811","0.0002","90","","90","","120","","368.969","0.015","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7 N Ni O6 -","- C6 H14 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0188","0.0179","","","0.0473","0.0477","","","","","","1.176","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226836","6.668","0.006","8.298","0.004","7.393","0.006","90","","116.64","0.11","90","","365.6","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium iron formate","","- C3 H7 Fe N O6 -","- C3 H3 Fe N O6 -","- C6 H6 Fe2 N2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.2903","synchrotron","","0.1914","0.1431","","","0.1562","0.1657","","","","3.31","3.31","2.44","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226837","3.8271","0.0003","19.192","0.002","10.816","0.002","90","","91.771","0.011","90","","794.05","0.18","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1198","0.0502","","","0.099","0.1181","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226838","3.84","0.002","19.183","0.016","10.87","0.018","90","","91.94","0.08","90","","800.3","1.5","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2555","0.1334","","","0.3255","0.3985","","","","","","1.144","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226839","3.7896","0.0004","19.207","0.002","10.703","0.003","90","","91.51","0.011","90","","778.8","0.2","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1633","0.0908","","","0.2382","0.2958","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226840","3.7768","0.0005","19.151","0.003","10.824","0.004","90","","91.839","0.017","90","","782.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2136","0.1106","","","0.3012","0.3677","","","","","","1.115","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226841","3.7692","0.0006","19.123","0.003","10.849","0.004","90","","91.978","0.018","90","","781.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C8.991 H5.994 F1.998 O1.998 -","- C35.964 H23.976 F7.992 O7.992 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2793","0.1424","","","0.3454","0.4247","","","","","","1.226","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226842","3.7692","0.0008","19.124","0.004","10.887","0.006","90","","91.98","0.03","90","","784.3","0.5","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2691","0.1352","","","0.3264","0.4037","","","","","","1.157","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226843","3.6777","0.0015","19.13","0.01","10.443","0.011","90","","90.52","0.05","90","","734.7","0.9","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.0835","0.0474","","","0.0995","0.1141","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226844","3.6652","0.0005","19.07","0.003","10.517","0.003","90","","90.798","0.016","90","","735","0.3","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1287","0.0686","","","0.1758","0.2297","","","","","","1.062","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226845","3.6528","0.0011","19.053","0.006","10.581","0.006","90","","90.9","0.03","90","","736.3","0.5","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1622","0.0785","","","0.2033","0.2632","","","","","","1.049","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226846","3.642","0.0007","19.023","0.004","10.626","0.005","90","","91.14","0.02","90","","736","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1778","0.097","","","0.2552","0.3109","","","","","","1.056","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226847","3.639","0.0007","19.002","0.004","10.645","0.005","90","","91.14","0.02","90","","735.9","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2146","0.1094","","","0.2902","0.3538","","","","","","1.072","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226848","3.6358","0.0017","18.973","0.011","10.701","0.013","90","","91.72","0.06","90","","737.8","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2524","0.1204","","","0.306","0.3922","","","","","","1.085","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226849","3.6223","0.0014","18.978","0.009","10.755","0.014","90","","91.34","0.06","90","","739.1","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2846","0.1191","","","0.2824","0.392","","","","","","1.029","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226861","7.6855","0.0015","7.8344","0.0016","8.1579","0.0016","91.15","0.03","104.78","0.03","116.81","0.03","418.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H14 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","1","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0368","0.0323","","","0.0788","0.0814","","","","","","1.041","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226862","9.2294","0.0003","11.4544","0.0003","18.2305","0.0006","80.471","0.003","77.234","0.003","87.169","0.003","1853.54","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 Hg N4 O -","- C18 H14 Cl2 Hg N4 O -","- C72 H56 Cl8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0371","0.0349","","","0.0904","0.0927","","","","","","0.94","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226863","9.3269","0.0006","11.5055","0.0009","18.7159","0.0012","79.29","0.006","77.048","0.006","86.951","0.006","1923.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Hg N4 O -","- C18 H14 Br2 Hg N4 O -","- C72 H56 Br8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0739","0.0705","","","0.1801","0.1871","","","","","","1.053","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226864","19.9763","0.0002","11.8392","0.0001","17.7194","0.0002","90","","103.328","0.001","90","","4077.83","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Hg I2 N4 O -","- C18 H14 Hg I2 N4 O -","- C144 H112 Hg8 I16 N32 O8 -","8","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0322","0.029","","","0.0708","0.0728","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226865","7.3839","0.0007","12.574","0.0011","15.6783","0.0013","90","","91.892","0.005","90","","1454.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 Hg N4 O -","- C12 H10 Br2 Hg N4 O -","- C48 H40 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.04","0.03","","","0.0575","0.06","","","","","","1.039","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226866","8.8275","0.0002","9.8653","0.0002","10.7261","0.0003","92.093","0.002","91.266","0.002","114.712","0.001","847.26","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br2 Hg N4 O2 -","- C13 H14 Br2 Hg N4 O2 -","- C26 H28 Br4 Hg2 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71069","MoKα","","0.0679","0.0398","","","0.0963","0.1246","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226867","7.9297","0.0016","13.566","0.003","14.212","0.003","90","","90.29","0.03","90","","1528.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 Hg N4 O -","- C13 H12 Cl2 Hg N4 O -","- C52 H48 Cl8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0478","0.0266","","","0.054","0.0591","","","","","","1.03","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226868","8.1943","0.0002","13.4627","0.0002","14.4493","0.0003","90","","90.865","0.002","90","","1593.83","0.06","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br2 Hg N4 O -","- C13 H12 Br2 Hg N4 O -","- C52 H48 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0586","0.0368","","","0.0638","0.0728","","","","","","1.036","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226869","10.6087","0.0004","14.778","0.0007","15.9432","0.0008","98.559","0.004","106.58","0.004","104.976","0.004","2246.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","1","0.5","","Jiao, Chengli; Jiang, Xia; Chu, Hailiang; Jiang, Heqing; Sun, Lixian","A mixed-valent CuI/CuII metal‒organic framework with selective chemical sensing properties","CrystEngComm","2016","18","44","8683","","10.1039/C6CE01827K","","","1.54184","CuKα","","0.067","0.0566","","","0.1507","0.1626","","","","","","1.039","","","","has coordinates","190089","2020-10-21","18:00:00",""
"7226872","27.601","0.01","10.773","0.004","7.699","0.003","90","","90","","90","","2289.3","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H19 F3 N2 O5 S -","- C25 H19 F3 N2 O5 S -","- C100 H76 F12 N8 O20 S4 -","4","1","","Emenike, Bright U.; Bey, Sara N.; Spinelle, Ronald A.; Jones, Jacob T.; Yoo, Barney; Zeller, Matthias","Cationic CHπ interactions as a function of solvation.","Physical chemistry chemical physics : PCCP","2016","18","45","30940","30945","10.1039/c6cp06800f","","","0.71073","MoKα","","0.0589","0.0389","","","0.0821","0.0912","","","","","","1.03","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226881","30.656","0.003","27.727","0.005","3.7908","0.0004","90","","90","","90","","3222.2","0.7","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C144 H112 N48 O32 -","16","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0566","0.0499","","","0.1221","0.1282","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226882","7.9507","0.0004","11.7608","0.0005","10.1981","0.0004","90","","110.216","0.005","90","","894.85","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C36 H28 N12 O4 S4 -","4","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0339","0.0312","","","0.0771","0.0787","","","","","","1.075","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226889","8.4892","0.0006","17.7731","0.0015","9.0884","0.0007","90","","107.345","0.008","90","","1308.9","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N -","- C19 H13 N -","- C76 H52 N4 -","4","1","","Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng","Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines","Green Chem.","2016","18","23","6241","","10.1039/C6GC02396G","","x-ray","0.71073","MoKα","","0.1114","0.0639","","","0.1252","0.1479","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226890","7.5233","0.0011","9.2661","0.0015","11.5013","0.0015","109.068","0.014","96.475","0.012","105.036","0.013","714.5","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 Cl N -","- C19 H12 Cl N -","- C38 H24 Cl2 N2 -","2","1","","Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng","Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines","Green Chem.","2016","18","23","6241","","10.1039/C6GC02396G","","x-ray","0.71073","MoKα","","0.2208","0.0807","","","0.1897","0.2825","","","","","","0.984","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226891","9.0735","0.0009","9.1093","0.001","9.1688","0.0009","71.085","0.003","75.202","0.003","85.168","0.004","693.13","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","","Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng","Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines","Green Chem.","2016","18","23","6241","","10.1039/C6GC02396G","","x-ray","0.71073","MoKα","","0.107","0.0689","","","0.1792","0.209","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226892","8.2767","0.0007","8.6984","0.0006","11.4987","0.0009","110.318","0.002","90.656","0.003","115.299","0.003","689.29","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O -","- C19 H15 N O -","- C38 H30 N2 O2 -","2","1","","Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng","Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines","Green Chem.","2016","18","23","6241","","10.1039/C6GC02396G","","x-ray","0.71073","MoKα","","0.0619","0.0533","","","0.1515","0.1625","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226893","8.296","0.003","10.559","0.004","22.575","0.008","87.07","0.018","89.387","0.016","82.151","0.019","1956.4","1.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 N O11 S -","- C40 H55 N O11 S -","- C80 H110 N2 O22 S2 -","2","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.2252","0.0885","","","0.2031","0.272","","","","","","1","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226894","7.1974","0.0005","12.5766","0.001","14.1544","0.0011","78.981","0.005","87.111","0.005","83.558","0.005","1249.13","0.17","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O8 S -","- C28 H29 N O8 S -","- C56 H58 N2 O16 S2 -","2","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.0698","0.0449","","","0.1072","0.1204","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226895","13.2946","0.0012","11.5487","0.001","22.664","0.002","90","","101.108","0.005","90","","3414.5","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 B N O4 -","- C44 H38 B N O4 -","- C176 H152 B4 N4 O16 -","4","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.096","0.0492","","","0.1042","0.1235","","","","","","1.027","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226896","11.301","0.0005","6.6661","0.0003","43.6661","0.0019","90","","96.49","0.003","90","","3268.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 N O10 -","- C32 H49 N O10 -","- C128 H196 N4 O40 -","4","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.1765","0.0565","","","0.1089","0.133","","","","","","0.838","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226897","43.206","0.009","7.075","0.0016","22.126","0.005","90","","111.687","0.012","90","","6285","2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N O8.5 S -","- C32 H44 N O8.5 S -","- C256 H352 N8 O68 S8 -","8","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.2102","0.091","","","0.2005","0.2611","","","","","","1.03","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226898","7.9779","0.0004","14.2778","0.0007","21.8106","0.0011","86.203","0.002","80.015","0.002","89.901","0.002","2441.3","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F6 N2 O8 S2 -","- C22 H18 F6 N2 O8 S2 -","- C88 H72 F24 N8 O32 S8 -","4","2","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.051","0.0417","","","0.1094","0.116","","","","","","1.018","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226910","13.066","0.005","19.265","0.005","20.892","0.005","97.447","0.005","101.774","0.005","99.064","0.005","5012","3","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- Cr Cs5 H24 K2 O90 Si2 Ta6 W18 -","- Cr Cs5 K2 O83 Si2 Ta6 W18 -","- Cr2 Cs10 K4 O166 Si4 Ta12 W36 -","2","1","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0978","0.079","","","0.2087","0.2226","","","","","","0.971","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226911","34.419","0.005","16.271","0.005","21.596","0.005","90","0.005","114.928","0.005","90","0.005","10968","5","298","2","298.15","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- Cl2 Cs3 Fe H36 K4 O95 Si2 Ta6 W18 -","- Cl2 Cs4 Fe K4 O93 Si2 Ta6 W18 -","- Cl8 Cs16 Fe4 K16 O372 Si8 Ta24 W72 -","4","0.5","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0743","0.049","","","0.1242","0.1399","","","","","","1.02","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226912","31.07","0.04","10.5077","0.0013","8.559","0.0009","90","","90","","90","","2794","4","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2111","0.1183","","","0.3153","0.3792","","","","","","1.093","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226913","31.16","0.06","10.4812","0.0019","8.5557","0.0014","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2434","0.1371","","","0.3601","0.4245","","","","","","1.316","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226914","31.05","0.05","10.491","0.0016","8.5775","0.0013","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2364","0.1329","","","0.3763","0.4351","","","","","","1.356","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226915","31.05","0.05","10.491","0.0016","8.5625","0.0013","90","","90","","90","","2789","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2683","0.1456","","","0.3814","0.4502","","","","","","1.411","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226916","30.99","0.03","10.5162","0.0012","8.5388","0.0009","90","","90","","90","","2783","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2247","0.1203","","","0.3024","0.3732","","","","","","1.054","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226917","30.83","0.03","10.5572","0.0011","8.5066","0.0009","90","","90","","90","","2769","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1812","0.1032","","","0.2518","0.3041","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226918","30.88","0.04","10.2558","0.0009","8.4545","0.0009","90","","90","","90","","2678","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1557","0.0886","","","0.2595","0.2959","","","","","","1.106","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226919","30.68","0.03","10.3153","0.0007","8.3651","0.0006","90","","90","","90","","2647","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1099","0.0662","","","0.1734","0.2017","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226920","30.37","0.03","10.2318","0.0012","8.3984","0.0009","90","","90","","90","","2610","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1957","0.0923","","","0.2315","0.2998","","","","","","1.049","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226921","30.46","0.03","10.2338","0.001","8.3341","0.0009","90","","90","","90","","2598","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.182","0.1028","","","0.2758","0.3321","","","","","","1.075","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226922","30.934","0.002","10.379","0.003","8.5247","0.0012","90","","90","","90","","2737","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1657","0.0852","","","0.1963","0.2429","","","","","","1.036","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226923","30.841","0.002","10.374","0.003","8.5367","0.0013","90","","90","","90","","2731.3","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2251","0.1224","","","0.301","0.3602","","","","","","1.061","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226924","7.8304","0.0009","15.1834","0.0018","12.9152","0.0015","90","","103.176","0.005","90","","1495.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mp-p1B-H5 F5-I-benzene, [1,2,3]Triazolo[1,5-a]quinoline","","- C16 H7 F5 I N3 -","- C16 H7 F5 I N3 -","- C64 H28 F20 I4 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.035","0.0265","","","0.0604","0.0651","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226925","6.6906","0.0014","9.568","0.002","10.618","0.002","64.954","0.006","79.728","0.005","87.328","0.005","605.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Mp-p1b-Hb7 1,4-diiodotetrafluorobenzene, ([1,2,3]Triazolo[1,5-a]quinoline)2","","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","1","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0188","0.0181","","","0.0457","0.0464","","","","","","1.105","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226926","6.9843","0.0006","25.501","0.002","6.8129","0.0006","90","","108.111","0.004","90","","1153.3","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mp-p1b-H11 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)4-COOH","","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","- C52 H48 N12 O8 -","2","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0642","0.0477","","","0.1181","0.1309","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226927","10.9465","0.001","8.6731","0.0008","50.527","0.005","90","","93.861","0.004","90","","4786.2","0.8","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Mp-p1b-H10 [1,2,3]Triazolo[1,5-a]quinoline","","- C10 H7 N3 -","- C10 H7 N3 -","- C240 H168 N72 -","24","3","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.1308","0.0697","","","0.1808","0.2101","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226928","6.3976","0.0015","20.616","0.005","10.876","0.003","90","","98.126","0.009","90","","1420.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H21 [1,2,3]Triazolo[1,5-a]quinoline, 2-F-PhCOOH","","- C17 H12 F N3 O2 -","- C17 H12 F N3 O2 -","- C68 H48 F4 N12 O8 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.071","0.0504","","","0.1288","0.1439","","","","","","1.104","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226929","28.065","0.011","36.966","0.014","4.2708","0.0016","90","","90","","90","","4431","3","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Mp-p1b-H15 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)3-COOH","","- C25 H22 N6 O4 -","- C25 H22 N6 O4 -","- C200 H176 N48 O32 -","8","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0899","0.0533","","","0.1095","0.126","","","","","","0.986","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226930","6.658","0.0008","9.8155","0.0011","10.4663","0.0013","65.256","0.004","79.993","0.004","84.833","0.004","611.63","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","Mp-p1b-H24 {[1,2,3]Triazolo[1,5-a]quinoline}2, 4-I-F4-PhCOOH","","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","1","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.026","0.0257","","","0.0629","0.0633","","","","","","1.031","","","","has coordinates,has disorder","301865","2025-08-22","16:17:08",""
"7226931","9.3698","0.0006","13.7351","0.0009","12.2408","0.0008","90","","90.6496","0.0015","90","","1575.23","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H29 [1,2,3]Triazolo[1,5-a]pyridine, 1,3,5-F3-2,4,6-I3-benzene","","- C12 H5 F3 I3 N3 -","- C12 H5 F3 I3 N3 -","- C48 H20 F12 I12 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0335","0.0288","","","0.0585","0.0598","","","","","","1.21","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226932","8.1237","0.0017","7.1542","0.0015","12.318","0.003","90","","92.502","0.007","90","","715.2","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Mp-p1b-H28 [1,2,3]triazolo[1,5-a]pyridine, 1,2-diiodotetrafluorobenzene","","- C12 H5 F4 I2 N3 -","- C12 H5 F4 I2 N3 -","- C24 H10 F8 I4 N6 -","2","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0187","0.018","","","0.0499","0.0502","","","","","","1.113","","","","has coordinates","301865","2025-08-22","16:17:08",""
"7226941","18.855","0.002","5.622","0.0004","16.886","0.002","90","","121.342","0.017","90","","1528.8","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cu N6 O S2 -","- C10 H14 Cu N6 O S2 -","- C40 H56 Cu4 N24 O4 S8 -","4","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands – synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.044","0.0348","","","0.0794","0.0837","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226942","9.8235","0.0005","10.5552","0.0006","15.0423","0.0006","77.423","0.004","79.796","0.004","63.616","0.006","1357.95","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","1","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands – synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0568","0.0344","","","0.0778","0.0835","","","","","","0.951","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226943","20.3583","0.0015","7.8165","0.0004","21.6675","0.0017","90","","116.1","0.009","90","","3096.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cu2 N11 S3 -","- C25 H32 Cu2 N11 S3 -","- C100 H128 Cu8 N44 S12 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0853","0.0503","","","0.1147","0.1293","","","","","","0.983","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226944","12.7902","0.0007","8.3391","0.0003","15.9931","0.0007","90","","113.001","0.006","90","","1570.19","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu N7 S2 -","- C13 H9 Cu N7 S2 -","- C52 H36 Cu4 N28 S8 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands – synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0417","0.0299","","","0.0743","0.0789","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226957","8.754","0.0002","13.5346","0.0003","11.9125","0.0003","90","","96.941","0.001","90","","1401.07","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)–4–(4–Nitrophenylmethylenimino)–2,6–dimethylphenol","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.048","0.0398","","","0.1108","0.1191","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226958","8.5277","0.0003","10.575","0.0004","15.1816","0.0005","93.258","0.001","101.706","0.001","92.719","0.001","1336","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(E)–4–(4–Nitrophenylmethylenimino)–2,6–dibromophenol","","- C13 H8 Br2 N2 O3 -","- C13 H8 Br2 N2 O3 -","- C52 H32 Br8 N8 O12 -","4","2","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0308","0.0251","","","0.0535","0.0563","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226959","11.8923","0.0003","12.959","0.0003","12.7118","0.0003","90","","97.638","0.001","90","","1941.66","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)–2,6–Diphenyl–4–(4–nitrostyryl)phenol","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0693","0.0494","","","0.1296","0.1442","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226960","8.7179","0.0003","13.577","0.0005","11.6351","0.0004","90","","96.555","0.001","90","","1368.16","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)–4–(4–Nitrophenylmethylenimino)–2,6–dichlorophenol","","- C13 H10 Cl2 N2 O4 -","- C13 H10 Cl2 N2 O4 -","- C52 H40 Cl8 N8 O16 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0427","0.0347","","","0.0935","0.1","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226961","6.6932","0.0004","7.6756","0.0005","15.1649","0.0009","86.795","0.002","85.596","0.002","68.438","0.002","722.1","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(E)–4–(2,4–Dinitrophenylmethylenimino)–2,6–dimethylphenol (2h)","","- C15 H13 N3 O5 -","- C15 H13 N3 O5 -","- C30 H26 N6 O10 -","2","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0567","0.0382","","","0.0934","0.1022","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226969","18","0.0009","18.933","0.001","28.187","0.002","76.131","0.002","71.402","0.003","86.574","0.003","8837.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H142 N16 O47 S8 -","- C152 H112 N16 O47 S8 -","- C304 H224 N32 O94 S16 -","2","1","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","0.71073","MoKα","","0.3207","0.22","","","0.4847","0.5243","","","","","","1.678","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226970","34.8241","0.0009","11.9401","0.0002","41.747","0.001","90","","98.01","0.003","90","","17189.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H182 N20 O55 S8 -","- C180 H140 N20 O55 S8 -","- C720 H560 N80 O220 S32 -","4","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.1485","0.1372","","","0.3708","0.3747","","","","","","1.203","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226971","14.8749","0.0004","20.9698","0.0008","30.2225","0.0009","97.318","0.003","99.924","0.002","95.529","0.003","9142.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C388 H375 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","1","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.0978","0.0778","","","0.246","0.2607","","","","","","0.946","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226972","16.746","0.006","34.094","0.013","19.114","0.008","90","","104.321","0.006","90","","10574","7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H84 Mg4 N2 O27 -","- C78 H84 Mg4 N2 O27 -","- C312 H336 Mg16 N8 O108 -","4","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1528","0.0967","","","0.2591","0.2925","","","","","","1.034","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226973","15.547","0.006","20.203","0.01","20.451","0.012","118.19","0.03","95.92","0.07","103.52","0.05","5331","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H79 Ca4 Cl N2 O26 -","- C72 H79 Ca4 Cl N2 O26 -","- C144 H158 Ca8 Cl2 N4 O52 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.1977","0.1417","","","0.3812","0.4188","","","","","","1.114","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226974","16.331","0.006","19.681","0.005","21.132","0.004","59.93","0.017","71.32","0.02","83.87","0.02","5556","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H114 N6 O28 Sr4 -","- C92 H114 N6 O28 Sr4 -","- C184 H228 N12 O56 Sr8 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1618","0.1064","","","0.2324","0.2687","","","","","","1.042","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226975","19.519","0.004","19.943","0.003","32.106","0.007","76.687","0.014","83.425","0.015","61.034","0.009","10641","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C188 H234 Ba9 N20 O68 -","- C188 H234 Ba9 N20 O68 -","- C376 H468 Ba18 N40 O136 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.0448","0.0308","","","0.0597","0.0637","","","","","","0.72","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226976","3.7798","0.0004","18.113","0.0013","10.051","0.0008","90","","95.479","0.004","90","","684.98","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C28 H12 Cl4 F8 O4 -","4","1","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.0296","0.0279","","","0.084","0.087","","","","","","1.081","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226977","13.4138","0.0005","5.1617","0.0002","20.5882","0.0007","90","","97.546","0.002","90","","1413.14","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 Cl F3 O -","- C7 H2 Cl F3 O -","- C56 H16 Cl8 F24 O8 -","8","2","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.0322","0.029","","","0.0741","0.0763","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226978","3.8275","0.0005","10.9838","0.0012","16.3303","0.0016","90","","95.919","0.008","90","","682.87","0.13","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.1096","0.0869","","","0.2187","0.2332","","","","","","1.079","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7226984","14.2255","0.0014","6.0009","0.0006","13.9246","0.0013","90","","114.398","0.001","90","","1082.53","0.18","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F O2 -","- C13 H13 F O2 -","- C52 H52 F4 O8 -","4","1","","Tian, Qingshan; Chen, Bin; Zhang, Guozhu","Silver-initiated radical ring expansion/fluorination of ethynyl cyclobutanols: efficient synthesis of monofluoroethenyl cyclopentanones","Green Chem.","2016","18","23","6236","","10.1039/C6GC02656G","","","0.71073","MoKα","","0.066","0.0552","","","0.1464","0.1576","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226987","6.9223","0.0013","8.2857","0.0016","16.275","0.003","79.871","0.005","78.545","0.004","82.818","0.005","896.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","isoliquiritigenin-isonicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C42 H36 N4 O10 -","2","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1303","0.0744","","","0.1727","0.2","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226988","21.909","0.006","3.7898","0.0013","23.918","0.007","90","","114.968","0.008","90","","1800.3","1","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","isoliquiritigenin-nicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C84 H72 N8 O20 -","4","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1738","0.1314","","","0.2294","0.2442","","","","","","1.193","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226989","5.8589","0.0003","20.01","0.0012","10.2562","0.0005","90","","100.97","0.005","90","","1180.43","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O6 S2 -","- C24 H24 N2 O6 S2 -","- C48 H48 N4 O12 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.045","0.0399","","","0.1041","0.109","","","","","","1.041","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7226990","15.3622","0.0008","5.6904","0.0003","24.0819","0.001","90","","90","","90","","2105.17","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O6 S2 -","- C22 H20 N2 O6 S2 -","- C88 H80 N8 O24 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0797","0.0783","","","0.2017","0.2026","","","","","","1.115","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226991","13.7666","0.0008","4.7286","0.0003","25.9341","0.0013","90","","97.914","0.006","90","","1672.15","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 S2 -","- C18 H14 N2 O4 S2 -","- C72 H56 N8 O16 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0737","0.0576","","","0.1482","0.1623","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226992","39.546","0.004","39.546","0.004","5.9306","0.0008","90","","90","","120","","8032.2","1.6","120","2","120","2","","","","","","","","5","R 3","R 3","146","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C342 H324 N36 O36 S36 -","18","","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1233","0.0837","","","0.2238","0.2655","","","","","","1.008","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226993","10.1252","0.0004","14.6758","0.0004","34.2996","0.0009","90","","90","","90","","5096.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Br N2 O4 S2 -","- C25 H27 Br N2 O4 S2 -","- C200 H216 Br8 N16 O32 S16 -","8","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","0.6889","","","0.0967","0.0755","","","0.2206","0.2391","","","","","","1.08","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7226994","15.8547","0.0005","6.138","0.0002","37.0248","0.0012","90","","90","","90","","3603.1","0.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 N2 O4 S2 -","- C19 H16 N2 O4 S2 -","- C152 H128 N16 O32 S16 -","8","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1357","0.1318","","","0.3771","0.3826","","","","","","1.754","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226995","10.18976","0.0001","14.54422","0.00015","26.2201","0.0003","90","","99.5359","0.0011","90","","3832.18","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br2 N4 O4 S4 -","- C40 H38 Br2 N4 O4 S4 -","- C160 H152 Br8 N16 O16 S16 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0959","0.0981","","","","","","1.06","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7226996","15.855","0.0002","5.37336","0.00005","16.575","0.0002","90","","112.663","0.0015","90","","1303.07","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Br2 N2 O2 S2 -","- C26 H30 Br2 N2 O2 S2 -","- C52 H60 Br4 N4 O4 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0254","0.0248","","","0.0694","0.0699","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7226997","16.0248","0.0004","5.61472","0.00012","25.7171","0.0006","90","","106.106","0.003","90","","2223.07","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O2 S2 -","- C24 H28 N2 O2 S2 -","- C96 H112 N8 O8 S8 -","4","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.04","0.0362","","","0.0953","0.0982","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227004","28.0134","0.0007","17.8914","0.0004","12.7629","0.0003","90","","90","","90","","6396.8","0.3","293","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C112 H72 Mg16 N8 Ni24 O178 P8 -","2","0.125","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.0821","0.0778","","","0.1886","0.1899","","","","","","1.095","","","","has coordinates","187996","2020-10-21","18:00:00",""
"7227005","11.759","0.0007","11.759","0.0007","11.759","0.0007","90","","90","","90","","1625.96","0.17","113","2","113","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Co K N8 -","- C12 H16.0032 Co K N8 -","- C48 H64.0128 Co4 K4 N32 -","4","0.0208333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0285","0.0274","","","0.0808","0.0812","","","","","","1.018","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227006","11.8233","0.0015","11.8233","0.0015","11.8233","0.0015","90","","90","","90","","1652.8","0.4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C12 H16 Co K N8 -","- C12.0008 H16.0032 Co K N8 -","- C48.0032 H64.0128 Co4 K4 N32 -","4","0.0833333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0452","0.0405","","","0.1336","0.1353","","","","","","1.053","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227007","8.6301","0.0005","7.7579","0.0007","23.769","0.002","90","","98.599","0.004","90","","1573.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-cyanopyridine)(1,2-dichloroethane)0.5","","- C12 H12 Br2 Cl N4 O2 -","- C12 H12 Br2 Cl N4 O2 -","- C48 H48 Br8 Cl4 N16 O8 -","4","0.5","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0658","0.0536","","","0.1346","0.1428","","","","","","1.058","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227008","7.714","0.0004","8.0925","0.0004","9.1626","0.0004","64.045","0.003","81.55","0.004","85.532","0.004","508.65","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)2(pyrazine)","","- C7 H8 Br2 N3 O2 -","- C7 H8 Br2 N3 O2 -","- C14 H16 Br4 N6 O4 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0357","0.0282","","","0.075","0.0775","","","","","","1.108","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227009","6.1692","0.0008","7.97","0.001","15.743","0.002","88.236","0.005","81.458","0.005","85.411","0.005","762.88","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)(methylisonicotinate)","","- C12 H13 Br2 N3 O4 -","- C12 H13 Br2 N3 O4 -","- C24 H26 Br4 N6 O8 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.072","0.0559","","","0.1645","0.1774","","","","","","1.035","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7227010","6.5779","0.0005","7.9462","0.0005","32.486","0.002","90","","90","","90","","1698","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N,N'-Dibromo-(S)-5-isobutylhydantoin)(methylisonicotinate)","","- C14 H17 Br2 N3 O4 -","- C14 H17 Br2 N3 O4 -","- C56 H68 Br8 N12 O16 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0436","0.0313","","","0.0545","0.0574","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227011","9.4108","0.0004","7.9826","0.0003","19.9558","0.001","90","","97.418","0.002","90","","1486.59","0.11","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-trifluoromethylpyridine)","","- C11 H10 Br2 F3 N3 O2 -","- C11 H10 Br2 F3 N3 O2 -","- C44 H40 Br8 F12 N12 O8 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0523","0.0339","","","0.0928","0.1177","","","","","","0.819","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227012","9.2276","0.0005","11.6453","0.0006","12.8446","0.0007","89.771","0.001","76.772","0.001","76.684","0.001","1305.78","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu N4 O8 -","- C28 H26 Cu N4 O8 -","- C56 H52 Cu2 N8 O16 -","2","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0379","0.0318","","","0.0832","0.0859","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227013","9.0062","0.0006","19.4623","0.0014","16.0701","0.0012","90","","94.442","0.001","90","","2808.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu N4 O8 -","- C28 H32 Cu N4 O8 -","- C112 H128 Cu4 N16 O32 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.084","0.0509","","","0.116","0.1306","","","","","","1.02","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227014","18.447","0.0002","21.014","0.0003","28.775","0.0004","90","","90","","90","","11154.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 N8 Ni2 O13 -","- C56 H58 N8 Ni2 O13 -","- C448 H464 N64 Ni16 O104 -","8","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1024","0.0541","","","0.1084","0.124","","","","","","1","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227015","5.7315","0.0019","8.915","0.003","18.554","0.006","76.76","0.006","81.312","0.006","82.111","0.006","907","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","1","0.5","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1066","0.0855","","","0.2207","0.2399","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227016","16.4579","0.0008","7.6329","0.0003","15.1328","0.0007","90","","115.053","0.001","90","","1722.15","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N2 O6 -","- C18 H18 Co N2 O6 -","- C72 H72 Co4 N8 O24 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0297","0.0269","","","0.0781","0.0799","","","","","","1.048","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227029","14.042","0.009","18.453","0.011","17.33","0.011","90","","110.124","0.007","90","","4216","5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H15 Br3 Cu3 O15 -","- C24 H15 Br3 Cu3 O15 -","- C96 H60 Br12 Cu12 O60 -","4","0.5","","Cheng, Fujun; Wang, Haijun; Hua, Yinying; Cao, Haifei; Zhou, Bihang; Duan, Jingui; Jin, Wanqin","Halogen bonded supramolecular porous structures with a kgm layer","CrystEngComm","2016","18","48","9227","","10.1039/C6CE02247B","","","0.71073","MoKα","","0.1629","0.0869","","","0.1753","0.1925","","","","","","1.022","","","","has coordinates","190073","2020-10-21","18:00:00",""
"7227043","7.5189","0.0007","8.8078","0.0007","13.135","0.001","87.752","0.006","89.74","0.007","80.065","0.007","856.16","0.12","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C44 H28 N10 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0722","0.0619","","","0.1713","0.1793","","","","","","1.031","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227044","8.3571","0.0003","15.9841","0.0005","12.6113","0.0005","90","","93.225","0.003","90","","1681.96","0.1","130","2","130.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C88 H56 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0494","0.0403","","","0.1095","0.1174","","","","","","1.07","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227045","11.9675","0.0003","10.4959","0.0003","14.5659","0.0003","90","","92.307","0.002","90","","1828.14","0.08","130","2","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 N5 -","- C22 H10 F4 N5 -","- C88 H40 F16 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0721","0.0646","","","0.1812","0.1891","","","","","","1.085","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227046","7.1083","0.0002","25.3703","0.0005","12.9159","0.0003","90","","100.474","0.002","90","","2290.44","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N6 O2 -","- C25 H21 F4 N6 O2 -","- C100 H84 F16 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0417","0.0338","","","0.085","0.0902","","","","","","1.028","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227047","7.088","0.0003","12.1413","0.0006","13.3964","0.0007","110.968","0.005","93.792","0.004","103.933","0.004","1029.99","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N6 O2 -","- C25 H17 N6 O2 -","- C50 H34 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0476","0.0444","","","0.1229","0.1263","","","","","","1.056","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227048","7.3694","0.0003","11.4503","0.0005","14.4977","0.0008","66.999","0.004","82.796","0.004","88.216","0.003","1116.98","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N6 O2 -","- C25 H25 N6 O2 -","- C50 H50 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0579","0.0497","","","0.1527","0.1572","","","","","","1.122","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227049","7.8219","0.0004","12.454","0.0005","13.5137","0.0006","117.204","0.004","90.126","0.004","104.916","0.005","1120.3","0.1","130","2","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N6 O3 -","- C26 H23 N6 O2.995 -","- C52 H46 N12 O5.99 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0643","0.0547","","","0.1385","0.1457","","","","","","1.083","","","","has coordinates,has disorder","190067","2020-10-21","18:00:00",""
"7227050","7.3613","0.0002","37.7897","0.0007","7.9918","0.0002","90","","115.71","0.004","90","","2003.08","0.11","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N6 O2 -","- C24 H15 N6 O2 -","- C96 H60 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0455","0.0382","","","0.0957","0.1004","","","","","","1.1","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227051","9.6649","0.0003","7.056","0.0002","16.1763","0.0006","90","","96.103","0.003","90","","1096.9","0.06","130","2","130","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H23 N6 -","- C26 H23 N6 -","- C52 H46 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.063","0.0563","","","0.1452","0.1568","","","","","","1.062","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227052","6.6808","0.0002","13.9762","0.0005","18.9142","0.0007","96.805","0.003","100.163","0.003","95.734","0.003","1712.87","0.1","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H28 N12 -","- C40 H28 N12 -","- C80 H56 N24 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0428","0.0344","","","0.0915","0.0964","","","","","","1.052","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227053","7.1455","0.0004","9.884","0.0007","16.27","0.0009","82.795","0.005","89.046","0.005","82.02","0.006","1128.97","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 F4 N6 -","- C26 H19 F4 N6 -","- C52 H38 F8 N12 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0973","0.0781","","","0.2886","0.3038","","","","","","1.245","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227054","7.7053","0.0005","10.2744","0.0007","12.1391","0.0009","90.196","0.006","97.753","0.006","97.1","0.006","944.74","0.11","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H30 N10 -","- C50 H30 N10 -","- C50 H30 N10 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0594","0.046","","","0.1203","0.1313","","","","","","1.01","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227055","13.555","0.0014","26.637","0.003","28.386","0.003","90","","99.374","0.002","90","","10112.3","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H71.5 Co5 N25.5 O14.5 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2395","0.0637","","","0.1295","0.1641","","","","","","0.642","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227056","41.0956","0.0015","24.8982","0.0009","28.2361","0.0011","90","","104.629","0.002","90","","27954.7","1.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H87 Br4 Co5 N26 O11.5 -","- C102 H80 Br4 Co5 N26 O8 -","- C816 H640 Br32 Co40 N208 O64 -","8","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2717","0.11","","","0.261","0.3578","","","","","","0.96","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227057","13.241","0.003","26.889","0.005","28.423","0.006","90","","101.13","0.03","90","","9929","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H73 Cl Co5 N24 O12 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.0946","0.0693","","","0.2013","0.2236","","","","","","1.065","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227058","12.9691","0.0011","26.539","0.002","29.04","0.002","90","","104.905","0.007","90","","9658.9","1.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H72 Cl4 Fe2 N24 O9 Zn3 -","- C96 H66 Cl4 Fe2 N24 O6 Zn3 -","- C384 H264 Cl16 Fe8 N96 O24 Zn12 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.3355","0.1192","","","0.2639","0.3849","","","","","","0.963","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227059","10.9907","0.0011","14.3055","0.0015","18.0914","0.0019","72.806","0.006","87.022","0.006","72.711","0.006","2592.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 Br4 Cl Cu N10 O2 -","- C37 H35 Br4 Cl Cu N10 -","- C74 H70 Br8 Cl2 Cu2 N20 -","2","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2313","0.1057","","","0.2536","0.3193","","","","","","0.982","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227060","15.327","0.003","15.327","0.003","25.887","0.005","90","","90","","90","","6081","2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C57 H49 Cl Cu2 N18 O8 -","- C56 H48 Cl Cu2 N18 O6 -","- C224 H192 Cl4 Cu8 N72 O24 -","4","","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.1662","0.1543","","","0.3389","0.3501","","","","","","1.678","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227063","7.3884","0.0007","11.2382","0.001","14.808","0.0013","94.017","0.005","96.891","0.005","109.057","0.005","1145.92","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O9 -","- C24 H18 N4 O9 -","- C48 H36 N8 O18 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.126","0.0515","","","0.1042","0.1284","","","","","","1","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227064","14.4119","0.0006","7.3071","0.0003","15.2855","0.0007","90","","106.646","0.003","90","","1542.25","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0707","0.0438","","","0.1166","0.135","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227065","6.5509","0.0004","9.5558","0.0007","24.5384","0.0017","90","","91.662","0.004","90","","1535.44","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.096","0.0553","","","0.1441","0.1713","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227066","9.0241","0.0015","11.982","0.002","14.549","0.002","90","","107.874","0.019","90","","1497.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1722","0.0928","","","0.1547","0.1945","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227067","3.9318","0.0005","11.7049","0.0015","16.914","0.002","99.084","0.008","94.248","0.008","94.176","0.008","763.7","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1602","0.0555","","","0.1151","0.1705","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227068","16.7216","0.0018","10.9118","0.0011","18.807","0.002","90","","113.093","0.006","90","","3156.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O5.5 -","- C17 H15 N2 O5.5 -","- C136 H120 N16 O44 -","8","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0926","0.0514","","","0.1046","0.1204","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227069","14.9671","0.0009","7.0737","0.0004","15.0978","0.0009","90","","96.54","0.004","90","","1588.04","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1155","0.0541","","","0.1265","0.1535","","","","","","1.027","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227070","27.622","0.006","10.446","0.002","23.476","0.005","90","","107.661","0.003","90","","6454","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C196 H140 Br8 Cu4 F120 Gd4 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0494","","","0.1473","0.1551","","","","","","1.018","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227071","27.435","0.005","10.4861","0.0017","23.51","0.005","90","","107.52","0.004","90","","6450","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C196 H140 Br8 Cu4 Dy4 F120 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0627","0.0498","","","0.1434","0.1524","","","","","","1.014","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227072","11.73","0.0008","14.9975","0.0013","16.8333","0.0013","82.081","0.005","71.866","0.004","79.621","0.005","2757.6","0.4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H22 Br Cu F30 Gd N3 O13 -","- C37 H22 Br Cu F30 Gd N3 O13 -","- C74 H44 Br2 Cu2 F60 Gd2 N6 O26 -","2","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0622","0.0499","","","0.1339","0.1475","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227073","17.578","0.004","14.131","0.003","22.056","0.004","90","","106.7","0.03","90","","5248","2","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu Dy F30 N3 O13 -","- C37 H22 Br Cu Dy F30 N3 O13 -","- C148 H88 Br4 Cu4 Dy4 F120 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0465","","","0.1309","0.1391","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227074","14.835","0.003","19.359","0.004","18.279","0.004","90","","100.87","0.03","90","","5155.4","1.9","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 La N3 O13 -","- C37 H22 Br Cu F30 La N3 O13 -","- C148 H88 Br4 Cu4 F120 La4 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0654","0.0485","","","0.1237","0.137","","","","","","1.005","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227075","14.802","0.002","19.305","0.002","18.193","0.002","90","","100.899","0.004","90","","5104.9","1","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 N3 O13 Pr -","- C37 H22 Br Cu F30 N3 O13 Pr -","- C148 H88 Br4 Cu4 F120 N12 O52 Pr4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0343","0.0268","","","0.071","0.0725","","","","","","1.02","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7227076","27.231","0.006","10.521","0.002","23.519","0.005","90","","107.426","0.003","90","","6429","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C196 H140 Br8 Cu4 F120 N24 O56 Tb4 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.053","0.0467","","","0.1411","0.1489","","","","","","1.023","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227077","17.6067","0.0018","14.1422","0.001","22.0961","0.0017","90","","106.795","0.005","90","","5267.2","0.8","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu F30 N3 O13 Tb -","- C37 H22 Br Cu F30 N3 O13 Tb -","- C148 H88 Br4 Cu4 F120 N12 O52 Tb4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0388","0.0368","","","0.1258","0.1277","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:09",""
"7227098","17.5317","0.0012","17.5317","0.0012","15.757","0.002","90","","90","","90","","4843.1","0.8","296","2","296","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","NJU-Bai18","","","- C17 H11 Cl Co N2 O2 -","- C17 H11 Cl Co N2 O2 -","- C136 H88 Cl8 Co8 N16 O16 -","8","0.5","","Liu, Huiyan; Meng, Fei; Lu, Zhiyong; Bai, Junfeng","A S4N4-like [Co4(μ-Cl)4] based metal‒organic framework with sum topology and selective CO2 uptake","CrystEngComm","2016","18","47","9003","","10.1039/C6CE02047J","","","0.71073","MoKα","","0.0526","0.0472","","","0.1633","0.1679","","","","","","1.061","","","","has coordinates,has disorder","190092","2020-10-21","18:00:00",""
"7227099","10.048","0.003","20.458","0.005","10.462","0.003","90","","92.797","0.005","90","","2148","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Mn N2 O8 -","- C24 H20 Mn N2 O8 -","- C96 H80 Mn4 N8 O32 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0862","0.059","","","0.129","0.149","","","","","","1.022","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227100","12.38","0.005","6.836","0.003","13.578","0.005","90","","114.624","0.007","90","","1044.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O4 Zn -","- C12 H8 N O4 Zn -","- C48 H32 N4 O16 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1071","0.0597","","","0.1275","0.145","","","","","","1.094","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227101","15.864","0.002","10.2331","0.0014","8.453","0.0011","90","","93.405","0.002","90","","1369.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O7 Pb -","- C12 H10 N2 O7 Pb -","- C48 H40 N8 O28 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0587","0.0495","","","0.1439","0.1568","","","","","","1.014","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227102","13.412","0.003","15.726","0.003","12.078","0.003","90","","92.315","0.004","90","","2545.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Mn3 N4 O26 -","- C50 H42 Mn3 N4 O26 -","- C100 H84 Mn6 N8 O52 -","2","0.5","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1313","0.0911","","","0.2806","0.323","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227103","21.133","0.008","7.397","0.003","15.679","0.006","90","","118.019","0.007","90","","2163.7","1.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H20 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1168","0.0906","","","0.2572","0.2743","","","","","","1.068","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227104","20.213","0.005","17.232","0.005","7.666","0.002","90","","95.997","0.005","90","","2655.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O6 Pb -","- C24 H16 N2 O6 Pb -","- C96 H64 N8 O24 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0597","0.0389","","","0.0902","0.0945","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227105","8.811","0.003","7.782","0.003","11.657","0.004","90","","90","","90","","799.3","0.5","290","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Fe N2 O6 -","- C3 H8 Fe N2 O6 -","- C12 H32 Fe4 N8 O24 -","4","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.024","0.02","","","0.0494","0.051","","","","","","1.061","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227106","8.736","0.003","11.763","0.004","7.871","0.003","90","","90","","90","","808.8","0.5","360","2","360","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Fe N2 O6 -","- C3 H8 Fe N2 O6 -","- C12 H32 Fe4 N8 O24 -","4","0.5","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0384","0.0282","","","0.0737","0.0788","","","","","","1.102","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227107","7.946","0.003","7.946","0.003","7.618","0.003","90","","90","","120","","416.6","0.3","360","2","360","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Fe N2 O6 -","- C3 H7.9995 Fe N1.9998 O6 -","- C6 H15.999 Fe2 N3.9996 O12 -","2","0.333333","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0409","0.0295","","","0.0595","0.0628","","","","","","1.053","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227108","7.988","0.003","7.988","0.003","7.807","0.003","90","","90","","120","","431.4","0.3","310","2","310","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Mn N2 O6 -","- C3 H7.9995 Mn N1.9998 O6 -","- C6 H15.999 Mn2 N3.9996 O12 -","2","0.333333","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0185","0.0171","","","0.0415","0.0419","","","","","","1.096","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227109","11.1965","0.0004","13.5143","0.0005","12.9627","0.0005","90","","95.488","0.003","90","","1952.43","0.13","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 Br2 N7 O4 Zn -","- C13 H23 Br2 N7 O4 Zn -","- C52 H92 Br8 N28 O16 Zn4 -","4","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","x-ray","0.71073","MoKα","","0.0394","0.0302","","","0.0712","0.0737","","","","1.75","1.75","1.65","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227110","7.5332","0.0004","11.2812","0.0005","15.5208","0.0006","101.693","0.004","98.883","0.004","105.224","0.004","1215.85","0.11","120","0.14","120","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H23 Br2 Cl2 N7 O4 Zn2 -","- C13 H23 Br1.9998 Cl1.9998 N7 O4 Zn1.9999 -","- C26 H46 Br3.9996 Cl3.9996 N14 O8 Zn3.9998 -","2","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","x-ray","0.7107","MoKα","","0.0532","0.0411","","","0.1118","0.119","","","","1.74","1.74","1.65","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227111","16.137","0.005","7.605","0.003","16.14","0.005","90","","119.984","0.003","90","","1715.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H32 Mn4 N8 O24 -","- C12 H31.9995 Mn4 N7.9998 O24 -","- C24 H63.999 Mn8 N15.9996 O48 -","2","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0336","0.0294","","","0.0565","0.058","","","","","","1.043","","","","has coordinates,has disorder","190280","2020-10-21","18:00:00",""
"7227123","16.923","0.003","4.7963","0.0007","9.884","0.0015","90","","101.424","0.005","90","","786.4","0.2","420","2","420","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0815","0.0723","","","0.2234","0.2377","","","","","","1.05","","","","has coordinates,has disorder","301865","2025-08-22","16:17:09",""
"7227124","16.894","0.002","4.7953","0.0006","9.8686","0.0013","90","","101.318","0.004","90","","783.93","0.17","338","2","338","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0773","0.0711","","","0.2252","0.2368","","","","","","1.055","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227137","17.5019","0.001","9.8634","0.0005","25.5915","0.0015","90","","108.725","0.002","90","","4184","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H40 F6 O3 P2 Pd -","- C47 H36 F6 O3 P2 Pd -","- C188 H144 F24 O12 P8 Pd4 -","4","1","","Zhang, Song-Lin; Deng, Zhu-Qin","Synthesis and reductive elimination of arylPd(ii) trifluoromethyl complexes: a remarkable concentration effect on chemoselectivity.","Physical chemistry chemical physics : PCCP","2016","18","48","32664","32667","10.1039/c6cp07093k","","","0.71073","MoKα","","0.0874","0.0711","","","0.1743","0.1803","","","","","","1.156","","","","has coordinates,has disorder","190282","2020-10-21","18:00:00",""
"7227150","13.4976","0.0008","7.1793","0.0004","7.8799","0.0005","90","","123.405","0.002","90","","637.44","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Mn O6 -","- C4 H4 Mn O6 -","- C16 H16 Mn4 O24 -","4","0.5","","Hendon, Christopher H.; Pradaux-Caggiano, Fabienne; Hatcher, Lauren E.; Gee, William J.; Wilson, Chick C.; Butler, Keith T.; Carbery, David R.; Walsh, Aron; Melot, Brent C.","Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate.","Physical chemistry chemical physics : PCCP","2016","18","48","33329","33334","10.1039/c6cp06886c","","","0.7749","synchrotron","","0.0182","0.0174","","","0.0458","0.0462","","","","","","1.114","","","","has coordinates","190283","2020-10-21","18:00:00",""
"7227156","9.785","0.001","10.4737","0.001","14.8053","0.001","80.999","0.01","89.131","0.01","70.023","0.01","1407.3","0.2","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N5 O5 -","- C26 H33 Cl2 N5 O5 -","- C52 H66 Cl4 N10 O10 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0603","0.0467","","0.1177","0.1087","0.1176","","","","","","0.9712","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227157","14.6736","0.0006","14.8453","0.0005","15.2727","0.0006","90","","114.517","0.005","90","","3027","0.2","120","","120","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Cl2 N5 O4 -","- C30 H39 Cl2 N5 O4 -","- C120 H156 Cl8 N20 O16 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0574","0.0488","","0.1306","0.1215","0.1305","","","","","","0.9782","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227158","9.1549","0.001","13.0427","0.001","15.0857","0.001","69.094","0.01","88.905","0.01","77.835","0.01","1641.8","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H43 Cl2 N5 O10 -","- C26 H43 Cl2 N5 O10 -","- C52 H86 Cl4 N10 O20 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.0604","0.0492","","0.1367","0.1267","0.1367","","","","","","0.9762","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227159","10.3869","0.0004","10.6513","0.0004","14.8652","0.0005","104.472","0.003","97.659","0.003","91.287","0.003","1575.54","0.1","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C29 H41 Cl2 N5 O6 -","- C29 H41 Cl2 N5 O6 -","- C58 H82 Cl4 N10 O12 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0637","0.0536","","0.1525","0.138","0.1523","","","","","","0.9695","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227160","12.3231","0.001","13.9721","0.001","30.2678","0.001","90","","90","","90","","5211.5","0.6","120","","120","","","","100","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl2 N5 O4 -","- C26 H31 Cl2 N5 O4 -","- C208 H248 Cl16 N40 O32 -","8","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0446","0.0404","","0.0933","0.0913","0.0932","","","","","","0.9177","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227161","10.6335","0.0002","14.8355","0.0003","22.083","0.0004","72.0962","0.0017","81.9476","0.0017","81.2892","0.0017","3260.49","0.11","120","","120","","","","100","","","","","6","P -1","-P 1","2","","","","- C28 H41 Cl2 N5 O7 S -","- C28 H41 Cl2 N5 O7 S -","- C112 H164 Cl8 N20 O28 S4 -","4","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0606","0.0561","","0.152","0.1452","0.152","","","","","","0.9303","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227162","12.3214","0.0002","12.7934","0.0002","20.7918","0.0003","90","","102.051","0.0012","90","","3205.24","0.09","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 Cl2 N5 O9 -","- C26 H41 Cl2 N5 O9 -","- C104 H164 Cl8 N20 O36 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0349","0.0312","","0.0797","0.0772","0.0797","","","","","","0.9744","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227163","10.294","0.001","11.1936","0.001","14.8961","0.001","107.974","0.01","98.064","0.01","90.706","0.01","1613.7","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C30 H41 Cl2 N5 O7 -","- C30 H41 Cl2 N5 O7 -","- C60 H82 Cl4 N10 O14 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0447","0.0423","","0.1126","0.1102","0.1126","","","","","","0.9439","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227164","15.0423","0.001","11.6835","0.001","31.4491","0.001","90","","92.372","0.01","90","","5522.3","0.6","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl2 N5 O4 -","- C27 H33 Cl2 N5 O4 -","- C216 H264 Cl16 N40 O32 -","8","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.102","0.0556","","0.151","0.1209","0.1507","","","","","","0.92","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227165","24.1866","0.0011","8.1122","0.0002","13.0215","0.0006","90","","91.868","0.003","90","","2553.55","0.18","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bosutinib anhydrate","","- C26 H29 Cl2 N5 O3 -","- C26 H29 Cl2 N5 O3 -","- C104 H116 Cl8 N20 O12 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.077","0.0766","","0.1022","0.1022","","","","3.88","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227166","9.5877","0.0006","12.476","0.0012","12.9719","0.0007","80.606","0.004","77.792","0.004","71.174","0.004","1427.84","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N5 O4 -","- C26 H28 Cl2 N5 O4 -","- C52 H56 Cl4 N10 O8 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.0876","0.0841","","0.0769","0.0766","","","","1.93","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227167","23.385","0.002","5.3635","0.0004","17.4866","0.0016","90","","110.455","0.01","90","","2055","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0974","0.0508","","","0.1113","0.1346","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7227168","5.5724","0.0003","11.3414","0.0007","17.3547","0.0009","90","","96.822","0.005","90","","1089.03","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 S2 -","- C28 H20 N2 O2 S2 -","- C56 H40 N4 O4 S4 -","2","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0692","0.0569","","","0.1514","0.1642","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:17:10",""
"7236160","14.0408","0.0005","7.0121","0.0002","18.5908","0.0006","90","","90","","90","","1830.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0318","0.0256","","","0.0641","0.0681","","","","","","1.08","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236161","12.4401","0.0002","11.2487","0.0002","15.3872","0.0003","90","","93.715","0.002","90","","2148.68","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cu2 N10 O10 -","- C40 H46 Cu2 N10 O10 -","- C80 H92 Cu4 N20 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0696","0.0706","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236162","18.3728","0.0003","12.264","0.0002","15.3996","0.0002","90","","96.439","0.002","90","","3448.01","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H32 Cu N10 O6 -","- C36 H32 Cu N10 O6 -","- C144 H128 Cu4 N40 O24 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0767","0.0794","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236163","7.8022","0.0002","22.6506","0.0006","11.4896","0.0003","90","","92.226","0.002","90","","2028.96","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 Cu2 N8 O10 -","- C38 H38 Cl2 Cu2 N8 O10 -","- C76 H76 Cl4 Cu4 N16 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0427","0.0343","","","0.0763","0.0811","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236164","17.4049","0.0009","17.5945","0.001","11.9876","0.0007","90","","90","","90","","3671","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C36 H32 Cl2 Cu N8 O8 -","- C36 H32 Cl2 Cu N8 O8 -","- C144 H128 Cl8 Cu4 N32 O32 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0355","0.0317","","","0.0762","0.0787","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236165","11.2175","0.0006","27.351","0.002","12.9381","0.0009","90","","99.598","0.006","90","","3914","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu2 F6 N8 O2 Si -","- C38 H38 Cu2 F6 N8 O2 Si -","- C152 H152 Cu8 F24 N32 O8 Si4 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","1.5418","CuKα","","0.0501","0.035","","","0.0805","0.0877","","","","","","1.017","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236166","10.6138","0.0002","11.0181","0.0002","16.4294","0.0004","90","","100.83","0.002","90","","1887.1","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu2 N8 O8 S2 -","- C36 H32 Cu2 N8 O8 S2 -","- C72 H64 Cu4 N16 O16 S4 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0417","0.0339","","","0.0772","0.0823","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236167","4.6147","0.0006","6.5781","0.0012","12.9004","0.0016","90","","90.418","0.009","90","","391.59","0.1","223","1","223","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.0731","","","","","","","","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236168","4.6604","0.0003","7.4079","0.0007","10.4566","0.0006","90","","92.007","0.004","90","","360.78","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.1058","","","","","","","","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236169","10.5995","0.0002","12.1967","0.0003","16.3411","0.0004","98.732","0.002","107.645","0.002","109.102","0.002","1826.92","0.09","288.53","0.1","288.53","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0473","0.0349","","","0.0799","0.0854","","","","","","1.027","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236170","11.8454","0.00014","28.3935","0.0003","34.5364","0.0003","90","","90","","90","","11615.7","0.2","291.57","0.1","291.57","0.1","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H50 N8 Ni5 O30 -","- C52 H50 N8 Ni5 O30 -","- C416 H400 N64 Ni40 O240 -","8","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0506","0.0486","","","0.1337","0.1355","","","","","","1.086","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236171","9.6379","0.0004","10.2081","0.0003","12.1115","0.0005","112.98","0.003","99.703","0.003","95.828","0.003","1062.79","0.08","290.88","0.19","290.88","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0483","0.0467","","","0.143","0.1445","","","","","","1.103","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236172","9.67809","0.00016","10.27573","0.00015","11.9152","0.0002","112.179","0.0015","101.863","0.0014","93.0017","0.0013","1062.75","0.03","288.53","0.1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0318","0.0316","","","0.0797","0.0798","","","","","","1.108","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236173","9.8669","0.0002","10.425","0.0002","12.4397","0.0003","111.316","0.0019","102.568","0.0018","93.8625","0.0017","1148.29","0.05","290.56","0.17","290.56","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0352","0.0342","","","0.1097","0.1106","","","","","","1.131","","","","has coordinates","234710","2020-10-21","18:00:00",""
"7236174","9.6701","0.0002","10.2782","0.0002","11.9406","0.0003","112.322","0.002","101.936","0.002","92.9815","0.0019","1062.89","0.05","288.85","0.12","288.85","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0454","0.0396","","","0.097","0.1004","","","","","","1.054","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236175","9.7826","0.0002","10.3101","0.0002","12.1333","0.0003","112.088","0.002","101.488","0.002","94.1132","0.0018","1096.65","0.05","289.03","0.1","289.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.044","0.0425","","","0.1281","0.1298","","","","","","1.112","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236176","8.6354","0.0003","21.9273","0.0007","18.4048","0.0006","90","","108.339","0.003","90","","3308","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Co N5 O6 -","- C32 H21 Co N5 O6 -","- C128 H84 Co4 N20 O24 -","4","1","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1576","0.0648","","","0.1459","0.1823","","","","","","0.963","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236177","31.98","0.03","7.904","0.007","26.8","0.03","90","","90","","90","","6774","12","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C64 H42 Cd3 N10 O13 -","- C64 H42 Cd3 N10 O13 -","- C256 H168 Cd12 N40 O52 -","4","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.0488","0.0458","","","0.0989","0.0999","","","","","","1.105","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236178","9.856","0.007","10.988","0.008","17.309","0.013","80.255","0.007","75.531","0.006","86.663","0.007","1789","2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","1","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1393","0.0596","","","0.1075","0.134","","","","","","0.965","","","","has coordinates,has disorder","234713","2020-10-21","18:00:00",""
"7236179","23.751","0.003","30.607","0.004","23.764","0.003","90","","90","","90","","17275","4","100","2","100","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C39 H35 Cd2 Cl5 Cr3 N7 O16 -","- C39 H31 Cd2 Cl5 Cr3 N7 O16 -","- C312 H248 Cd16 Cl40 Cr24 N56 O128 -","8","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.71073","MoKα","","0.1758","0.0939","","","0.2555","0.3387","","","","","","1.066","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236180","20.772","0.009","20.772","0.009","21.053","0.001","90","","90","","120","","7867","5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C36 H54 Cr3 Cu3 N13 O49 -","- C36 H24 Cr3 Cu3 N6 O28 -","- C72 H48 Cr6 Cu6 N12 O56 -","2","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0887","0.0726","","","0.2137","0.2411","","","","","","1.089","","","","has coordinates","234716","2020-10-21","18:00:00",""
"7236181","20.608","0.002","20.608","0.002","22.35","0.002","90","","90","","90","","9491.8","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C46 H70 Cd2 Cr3 N11 O41 -","- C46 H51 Cd2 Cr3 N10 O38 -","- C184 H204 Cd8 Cr12 N40 O152 -","4","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0738","0.0562","","","0.1568","0.1716","","","","","","1.103","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236182","21.6177","0.0006","21.6177","0.0006","61.464","0.004","90","","90","","120","","24875.4","1.9","100","2","100.11","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C117 H155 Cl14 Cr6 Cu6 N27 O42 -","- C117 H153 Cl13.9998 Cr6 Cu6 N27 O41.9999 -","- C702 H918 Cl83.9988 Cr36 Cu36 N162 O251.999 -","6","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0742","0.0634","","","0.1631","0.1695","","","","","","1.105","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236183","22.045","0.002","22.045","0.002","21.768","0.002","90","","90","","120","","9161.6","1.4","100","2","100.15","","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C78 H84 Cl6 Cr6 Mn3 N14 O44 -","- C78 H48 Cl6 Cr6 Mn3 N12 O38 -","- C156 H96 Cl12 Cr12 Mn6 N24 O76 -","2","0.0833333","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0961","0.0601","","","0.1945","0.2415","","","","","","1.079","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7238068","11.2652","0.0015","12.2246","0.0015","12.2787","0.0018","94.758","0.011","115.462","0.014","111.252","0.012","1364.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N12 O4 Zn -","- C26 H24 N12 O4 Zn -","- C52 H48 N24 O8 Zn2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0839","0.0575","","","0.1467","0.1616","","","","","","1.031","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238069","8.2082","0.0006","10.6317","0.0008","12.4526","0.001","79.48","0.007","74.303","0.007","69.897","0.007","977.6","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N10 O -","- C20 H13 Cd N10 O -","- C40 H26 Cd2 N20 O2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0299","0.0256","","","0.0534","0.055","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238070","28.6376","0.0015","10.5812","0.0004","22.7685","0.001","90","","90","","90","","6899.3","0.5","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H29 Cd N13 O3 -","- C30 H29 Cd N13 O3 -","- C240 H232 Cd8 N104 O24 -","8","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0793","0.0517","","","0.1339","0.1458","","","","","","1.047","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7238071","5.9576","0.0007","16.05","0.0018","16.1222","0.0018","90","","100.028","0.002","90","","1518","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N8 O2 -","- C14 H12 N8 O2 -","- C56 H48 N32 O8 -","4","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0399","0.0332","","","0.0855","0.0886","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:34",""
"9000008","5.304","","5.304","","5.304","","90","","90","","90","","149.214","","","","","","","","","","","","Leonard mine, Butte, Montana, USA","9","F -4 3 m","F -4 2 3","216","","","Colusite","- As0.03 Cu0.53 Fe0.31 Mo0.09 S0.71 Sb0.01 Sn0.05 Te0.02 Zn0.01 -","- As0.03 Cu0.53 Fe0.31 Mo0.09 S0.71 Sb0.01 Sn0.05 Te0.02 Zn0.01 -","- As0.12 Cu2.12 Fe1.24 Mo0.36 S2.84 Sb0.04 Sn0.2 Te0.08 Zn0.04 -","4","0.0416667","","Zachariasen, W. H.","X-Ray examination of colusite, (Cu,Fe,Mo,Sn)4(S,As,Te)3-4","American Mineralogist","1933","18","","534","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9004150","53.68","","4.11","","15.4","","90","","90","","90","","3397.62","","","","","","","","","","","","Falun, Sweden","5","P n m a","-P 2ac 2n","62","","","Weibullite","- Ag0.33 Bi8.34 Pb5.33 S15.03 Se2.97 -","- Ag0.33 Bi8.34 Pb5.33 S15.03 Se2.97 -","- Ag1.32 Bi33.36 Pb21.32 S60.12 Se11.88 -","4","0.5","","Mumme, W. G.","Weibullite Ag0.32Pb5.09Bi8.55Se6.08S11.92 from Falun, Sweden: A higher homologue of galenobismutite","The Canadian Mineralogist","1980","18","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004151","10.42","","10.42","","13.81","","90","","90","","120","","1298.55","","","","","","","","","","","","Kings Mt., North Carolina, USA","8","P 6/m c c","-P 6 2c","192","","","Milarite","- Al0.885 Be2.115 Ca2 H1.36 K1.06 Na0.076 O30.68 Si12 -","- Al0.885 Be2.115 Ca2 H1.36 K1.06 Na0.076 O30.68 Si12 -","- Al1.77 Be4.23 Ca4 H2.72 K2.12 Na0.152 O61.36 Si24 -","2","0.0833333","","Cerny, P.; Hawthorne, F. C.; Jarosewich, E.","Crystal chemistry of milarite Note: sample Kings Mt.(31)","The Canadian Mineralogist","1980","18","","41","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004152","10.428","","10.428","","13.675","","90","","90","","120","","1287.83","","","","","","","","","","","","Vezna west, Czechoslovakia","8","P 6/m c c","-P 6 2c","192","","","Milarite","- Al0.45 Be2.55 Ca4 H2.72 K1.184 Na0.24 O30.92 Si12 -","- Al0.45 Be2.55 Ca4 H1.84 K1.184 Na0.24 O30.92 Si12 -","- Al0.9 Be5.1 Ca8 H3.68 K2.368 Na0.48 O61.84 Si24 -","2","0.0833333","","Cerny, P.; Hawthorne, F. C.; Jarosewich, E.","Crystal chemistry of milarite Note: sample Vezna(29a), radial fibrous","The Canadian Mineralogist","1980","18","","41","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004153","10.417","","10.417","","13.688","","90","","90","","120","","1286.34","","","","","","","","","","","","Vezna west, Czechoslovakia","8","P 6/m c c","-P 6 2c","192","","","Milarite","- Al0.45 Be2.55 Ca4 H2.72 K1.184 Na0.24 O30.68 Si12 -","- Al0.45 Be2.55 Ca4 H1.36 K1.184 Na0.24 O30.68 Si12 -","- Al0.9 Be5.1 Ca8 H2.72 K2.368 Na0.48 O61.36 Si24 -","2","0.0833333","","Cerny, P.; Hawthorne, F. C.; Jarosewich, E.","Crystal chemistry of milarite Note: sample Vezna(29b), radial fibrous","The Canadian Mineralogist","1980","18","","41","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004154","17.989","","4.7924","","5.5","","90","","95.15","","90","","472.244","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Stibivanite","- O5 Sb2 V -","- O5 Sb2 V -","- O20 Sb8 V4 -","4","0.5","","Szymanski, J. T.","A redetermination of the structure of Sb2VO5, stibivanite, a new mineral","The Canadian Mineralogist","1980","18","","333","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004155","8.481","","8.481","","8.481","","90","","90","","90","","610.016","","","","","","","","","","","","Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Al0.06 Ca0.01 Fe2.06 Mg0.1 Mn0.02 O4 Si0.01 Ti0.73 V0.01 -","- Al0.06 Ca0.01 Fe2.06 Mg0.1 Mn0.02 O4 Si0.01 Ti0.73 V0.01 -","- Al0.48 Ca0.08 Fe16.48 Mg0.8 Mn0.16 O32 Si0.08 Ti5.84 V0.08 -","8","0.0416667","","Stout, M. Z.; Bayliss, P.","Crystal structure of two ferrian ulvospinels from British Columbia Note: sample NR5 Locality: Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada","The Canadian Mineralogist","1980","18","","339","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9004156","8.504","","8.504","","8.504","","90","","90","","90","","614.992","","","","","","","","","","","","Itcha Mountain hawaiite lava flow, central British Columbia, Canada","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnetite","- Al0.05 Ca0.01 Fe2.1 Mg0.06 Mn0.02 O4 Si0.01 Ti0.74 V0.01 -","- Al0.05 Ca0.01 Fe2.1 Mg0.06 Mn0.02 O4 Si0.01 Ti0.74 V0.01 -","- Al0.4 Ca0.08 Fe16.8 Mg0.48 Mn0.16 O32 Si0.08 Ti5.92 V0.08 -","8","0.0416667","","Stout, M. Z.; Bayliss, P.","Crystal structure of two ferrian ulvospinels from British Columbia Note: sample IM7 Locality: Itcha Mountain hawaiite lava flow, central British Columbia, Canada","The Canadian Mineralogist","1980","18","","339","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9004157","17.97","","4.11","","17.62","","90","","94.3","","90","","1297.69","","","","","","","","","","","","Falun, Sweden","5","P 1 21/m 1","-P 2yb","11","","","Nordstromite","- Bi7.92 Cu Pb2.08 S10.8 Se3.2 -","- Bi7.92 Cu Pb2.08 S10.8 Se3.2 -","- Bi15.84 Cu2 Pb4.16 S21.6 Se6.4 -","2","0.5","","Mumme, W. G.","The crystal structure of nordstromite CuPb3Bi7(S,Se)14, from Falun, Sweden: A member of the junoite homologous series","The Canadian Mineralogist","1980","18","","343","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004158","10.7956","","14.4928","","6.6229","","90","","113.214","","90","","952.316","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","Petarasite","- Ca0.2 Cl0.75 H4.37 Na4.8 O20.37 Si6 Zr2 -","- Ca0.2 Cl0.75 H4.37 Na4.8 O20.37 Si6 Zr2 -","- Ca0.4 Cl1.5 H8.74 Na9.6 O40.74 Si12 Zr4 -","2","0.5","","Ghose, S.; Wan, C.; Chao, G. Y.","Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate","The Canadian Mineralogist","1980","18","","503","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9005747","8.3312","","11.267","","5.661","","90","","90","","90","","531.385","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H4 Al K O6 -","- C H4 Al K O6 -","- C4 H16 Al4 K4 O24 -","4","1","","Fernandez-Carrasco L; Rius, J.","Synthesis and crystal structure determination of hydrated potassium dawsonite from powder diffraction data","European Journal of Mineralogy","2006","18","","99","104","10.1127/0935-1221/2006/0018-0099","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005748","11.835","","6.328","","9.983","","90","","105.81","","90","","719.363","","","","","","","","","","","","Okatjimukuju, Karibib, Namibia","4","I 1 2/a 1","-I 2ya","15","","","Stanekite","- Fe1.1 Mn0.81 O5 P -","- Fe1.1 Mn0.81 O5 P -","- Fe8.8 Mn6.48 O40 P8 -","8","1","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju, Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O Locality: Okatjimukuju, Karibib, Namibia Note: Uiso(O4) corrected","European Journal of Mineralogy","2006","18","","113","118","10.1127/0935-1221/2006/0018-0113","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005749","9.7226","","18.28","","5.427","","90","","90","","90","","964.536","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Rhomboclase","- Fe H9.384 O12 S2 -","- Fe H7 O12 S2 -","- Fe4 H28 O48 S8 -","4","0.5","","Majzlan J; Navrotsky A; McCleskey R B; Alpers C N","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 Locality: synthetic","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9005750","7.3867","","18.363","","7.3275","","93.94","","102.201","","98.916","","954.414","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","","Ferricopiapite","- Fe4.619 O46 S6 -","- Fe4.619 O46 S6 -","- Fe4.619 O46 S6 -","1","0.5","","Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005751","10.9153","","10.9153","","17.077","","90","","90","","120","","1762.03","","","","","","","","","","","","Synthetic","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al1.058 Fe2.942 H36 O42 S6 -","- Al1.058 Fe2.942 H36 O42 S6 -","- Al2.116 Fe5.884 H72 O84 S12 -","2","0.166667","","Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005752","5.494","","5.494","","7.09","","90","","90","","120","","185.334","","","","","","","","","","","","Herja, Romania","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.63 H4 O9 Si1.37 -","- Fe3.63 H4 O9 Si1.37 -","- Fe3.63 H4 O9 Si1.37 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: HER Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005753","5.495","","5.495","","7.09","","90","","90","","120","","185.401","","","","","","","","","","","","Lostwithiel, England","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.578 H4 O9 Si1.422 -","- Fe3.578 H4 O9 Si1.422 -","- Fe3.578 H4 O9 Si1.422 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LOS Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005754","5.501","","5.501","","7.106","","90","","90","","120","","186.225","","","","","","","","","","","","Roznava, Slovakia","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.44 H4 O9 Si1.56 -","- Fe3.44 H4 O9 Si1.56 -","- Fe3.44 H4 O9 Si1.56 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: ROZ Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005755","5.49","","5.49","","7.086","","90","","90","","120","","184.959","","","","","","","","","","","","Litosice, Czech Republic","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.52 H4 O9 Si1.48 -","- Fe3.52 H4 O9 Si1.48 -","- Fe3.52 H4 O9 Si1.48 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LIT Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005946","4.4449","","4.4449","","4.4449","","90","","90","","90","","87.818","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Manganosite","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Pacalo, R. E. G.; Graham, E. K.","Pressure and temperature dependence of the elastic properties of synthetic MnO Sample: 1","Physics and Chemistry of Minerals","1991","18","","69","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005947","4.4446","","4.4446","","4.4446","","90","","90","","90","","87.801","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Manganosite","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Pacalo, R. E. G.; Graham, E. K.","Pressure and temperature dependence of the elastic properties of synthetic MnO Sample: 2","Physics and Chemistry of Minerals","1991","18","","69","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005948","16.436","","12.436","","9.966","","90","","115.63","","90","","1836.6","","","","15","","","","","","","","San Benito, California, USA","7","C 1 c 1","C -2yc","9","","","Neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","4","1","","Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.","Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 15 K","Physics and Chemistry of Minerals","1991","18","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005949","16.43","","12.436","","9.963","","90","","115.6","","90","","1835.84","","","","110","","","","","","","","San Benito, California, USA","7","C 1 c 1","C -2yc","9","","","Neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","4","1","","Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.","Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 110 K","Physics and Chemistry of Minerals","1991","18","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005950","16.427","","12.478","","9.975","","90","","115.56","","90","","1844.54","","","","293","","","","","","","","San Benito, California, USA","7","C 1 c 1","C -2yc","9","","","Neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","4","1","","Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.","Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 293 K","Physics and Chemistry of Minerals","1991","18","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005951","16.426","","12.532","","9.995","","90","","115.51","","90","","1856.89","","","","493","","","","","","","","San Benito, California, USA","7","C 1 c 1","C -2yc","9","","","Neptunite","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe2 K Li Na2 O24 Si8 Ti2 -","- Fe8 K4 Li4 Na8 O96 Si32 Ti8 -","4","1","","Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.","Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 493 K","Physics and Chemistry of Minerals","1991","18","","199","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005952","8.0452","","8.0452","","8.0452","","90","","90","","90","","520.728","","","","","","","","","","quenched from 700 C, held for 43d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for 43d, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005953","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 750 C, held for 80h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 80h, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005954","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 750 C, held for 43h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 43h, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005955","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 800 C, held for 11d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005956","8.0468","","8.0468","","8.0468","","90","","90","","90","","521.038","","","","","","","","","","quenched from 850 C, held for 49h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 850 C, held for 49h, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005957","8.0473","","8.0473","","8.0473","","90","","90","","90","","521.135","","","","","","","","","","quenched from 901 C, held for 16h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 901 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005958","8.0481","","8.0481","","8.0481","","90","","90","","90","","521.291","","","","","","","","","","quenched from 950 C, held for 16h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 950 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005959","8.0488","","8.0488","","8.0488","","90","","90","","90","","521.427","","","","","","","","","","quenched from 1000 C, held for 1h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1000 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005960","8.0497","","8.0497","","8.0497","","90","","90","","90","","521.602","","","","","","","","","","quenched from 1050 C, held for 1h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1050 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005961","8.0504","","8.0504","","8.0504","","90","","90","","90","","521.738","","","","","","","","","","quenched from 1100 C, held for 35m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1100 C, held for 35m, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005962","8.0511","","8.0511","","8.0511","","90","","90","","90","","521.874","","","","","","","","","","quenched from 1150 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1150 C, held for 5m, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005963","8.0517","","8.0517","","8.0517","","90","","90","","90","","521.991","","","","","","","","","","quenched from 1200 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1200 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005964","8.0522","","8.0522","","8.0522","","90","","90","","90","","522.088","","","","","","","","","","quenched from 1250 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1250 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005965","8.0452","","8.0452","","8.0452","","90","","90","","90","","520.728","","","","","","","","","","quenched from 700 C, held for 43d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for 43d, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005966","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 750 C, held for 80h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 80h, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005967","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 750 C, held for 43h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 43h, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005968","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 800 C, held for 11d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005969","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 850 C, held for 49h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 850 C, held for 49h, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005970","8.0473","","8.0473","","8.0473","","90","","90","","90","","521.135","","","","","","","","","","quenched from 901 C, held for 16h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 901 C, held for 16h, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005972","8.0488","","8.0488","","8.0488","","90","","90","","90","","521.427","","","","","","","","","","quenched from 1000 C, held for 1h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1000 C, held for 1h, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005973","8.0497","","8.0497","","8.0497","","90","","90","","90","","521.602","","","","","","","","","","quenched from 1050 C, held for 1h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1050 C, held for 1h, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005974","8.0481","","8.0481","","8.0481","","90","","90","","90","","521.291","","","","","","","","","","quenched from 1100 C, held for 35m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1100 C, held for 35m, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005975","8.0481","","8.0481","","8.0481","","90","","90","","90","","521.291","","","","","","","","","","quenched from 1150 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1150 C, held for 5m, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005976","8.0481","","8.0481","","8.0481","","90","","90","","90","","521.291","","","","","","","","","","quenched from 1200 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1200 C, held for 10m, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005977","8.0481","","8.0481","","8.0481","","90","","90","","90","","521.291","","","","","","","","","","quenched from 1250 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1250 C, held for 10m, UCLA (Cu), Model 1","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005980","8.0452","","8.0452","","8.0452","","90","","90","","90","","520.728","","","","","","","","","","quenched from 800 C, held for 11d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, Bayerisheches Geoinstitut (Mo), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005986","8.0452","","8.0452","","8.0452","","90","","90","","90","","520.728","","","","","","","","","","quenched from 1100 C, held for 35m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1100 C, held for 35m, Bayerisheches Geoinstitut (Mo), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005987","8.0511","","8.0511","","8.0511","","90","","90","","90","","521.874","","","","","","","","","","quenched from 1150 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni0.982 O4 -","- Al2 Ni0.982 O4 -","- Al16 Ni7.856 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1150 C, held for 5m, Bayerisheches Geoinstitut (Mo), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005989","8.0452","","8.0452","","8.0452","","90","","90","","90","","520.728","","","","","","","","","","quenched from 1250 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1250 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005994","8.0468","","8.0468","","8.0468","","90","","90","","90","","521.038","","","","","","","","","","quenched from 850 C, held for 49h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 850 C, held for 49h, UCLA (Cu), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005997","8.0488","","8.0488","","8.0488","","90","","90","","90","","521.427","","","","","","","","","","quenched from 1000 C, held for 1h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1000 C, held for 1h, UCLA (Cu), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005999","8.0504","","8.0504","","8.0504","","90","","90","","90","","521.738","","","","","","","","","","quenched from 1100 C, held for 35m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1100 C, held for 35m, UCLA (Cu), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006000","8.0511","","8.0511","","8.0511","","90","","90","","90","","521.874","","","","","","","","","","quenched from 1150 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1150 C, held for 5m, UCLA (Cu), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006001","8.0517","","8.0517","","8.0517","","90","","90","","90","","521.991","","","","","","","","","","quenched from 1200 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1200 C, held for 10m, UCLA (Cu), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006002","8.0522","","8.0522","","8.0522","","90","","90","","90","","522.088","","","","","","","","","","quenched from 1250 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1250 C, held for 10m, UCLA (Cu), Model 2","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006003","8.0452","","8.0452","","8.0452","","90","","90","","90","","520.728","","","","","","","","","","quenched from 700 C, held for 43d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for 43d, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006004","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 750 C, held for 80h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 80h, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006005","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 750 C, held for 43h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 43h, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006006","8.046","","8.046","","8.046","","90","","90","","90","","520.883","","","","","","","","","","quenched from 800 C, held for 11d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006007","8.0468","","8.0468","","8.0468","","90","","90","","90","","521.038","","","","","","","","","","quenched from 850 C, held for 49h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 850 C, held for 49h, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006008","8.0473","","8.0473","","8.0473","","90","","90","","90","","521.135","","","","","","","","","","quenched from 901 C, held for 16h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 901 C, held for 16h, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006009","8.0481","","8.0481","","8.0481","","90","","90","","90","","521.291","","","","","","","","","","quenched from 950 C, held for 16h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 950 C, held for 16h, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006010","8.0488","","8.0488","","8.0488","","90","","90","","90","","521.427","","","","","","","","","","quenched from 1000 C, held for 1h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1000 C, held for 1h, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006012","8.0504","","8.0504","","8.0504","","90","","90","","90","","521.738","","","","","","","","","","quenched from 1100 C, held for 35m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1100 C, held for 35m, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006013","8.0511","","8.0511","","8.0511","","90","","90","","90","","521.874","","","","","","","","","","quenched from 1150 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1150 C, held for 5m, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006014","8.0517","","8.0517","","8.0517","","90","","90","","90","","521.991","","","","","","","","","","quenched from 1200 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1200 C, held for 10m, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006016","8.0521","","8.0521","","8.0521","","90","","90","","90","","522.068","","","","","","","","","","quenched from 1300 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1300 C, held for 5m, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006017","8.0531","","8.0531","","8.0531","","90","","90","","90","","522.263","","","","","","","","","","quenched from 1350 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1350 C, held for 5m, Samples from batch of material called ""1300""","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006018","8.0458","","8.0458","","8.0458","","90","","90","","90","","520.844","","","","","","","","","","quenched from 800 C, held for 11d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, ""600"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006019","8.0473","","8.0473","","8.0473","","90","","90","","90","","521.135","","","","","","","","","","quenched from 900 C, held for 10d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 900 C, held for 10d, ""600"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006020","8.0458","","8.0458","","8.0458","","90","","90","","90","","520.844","","","","","","","","","","quenched from 1050 C, held for 35m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1050 C, held for 35m, ""600"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006021","8.0517","","8.0517","","8.0517","","90","","90","","90","","521.991","","","","","","","","","","quenched from 1349 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1349 C, held for 5m, ""600"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006022","8.0524","","8.0524","","8.0524","","90","","90","","90","","522.127","","","","","","","","","","quenched from 1400 C, held for 5m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1400 C, held for 5m, ""600"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006023","8.0447","","8.0447","","8.0447","","90","","90","","90","","520.63","","","","","","","","","","quenched from 700 C, held for 20d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for 20d, ""1400"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006024","8.0453","","8.0453","","8.0453","","90","","90","","90","","520.747","","","","","","","","","","quenched from 800 C, held for 11d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, ""1400"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006025","8.0467","","8.0467","","8.0467","","90","","90","","90","","521.019","","","","","","","","","","quenched from 900 C, held for 1h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 900 C, held for 1h, ""1400"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006026","8.049","","8.049","","8.049","","90","","90","","90","","521.466","","","","","","","","","","quenched from 1050 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1050 C, held for 10m, ""1400"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006027","8.0449","","8.0449","","8.0449","","90","","90","","90","","520.669","","","","","","","","","","quenched from 700 C, held for 60d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for 60d, ""flux"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006028","8.0464","","8.0464","","8.0464","","90","","90","","90","","520.961","","","","","","","","","","quenched from 799 C, held for 3d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 799 C, held for 3d, ""flux"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006029","8.0478","","8.0478","","8.0478","","90","","90","","90","","521.233","","","","","","","","","","quenched from 899 C, held for 3.5h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 899 C, held for 3.5h, ""flux"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006030","8.0485","","8.0485","","8.0485","","90","","90","","90","","521.369","","","","","","","","","","quenched from 950 C, held for 4h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 950 C, held for 4h, ""flux"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006031","8.0499","","8.0499","","8.0499","","90","","90","","90","","521.641","","","","","","","","","","quenched from 1049 C, held for 30m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1049 C, held for 30m, ""flux"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006032","8.0455","","8.0455","","8.0455","","90","","90","","90","","520.786","","","","","","","","","","quenched from 800 C, held for 11d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, ""1300"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006033","8.0529","","8.0529","","8.0529","","90","","90","","90","","522.224","","","","","","","","","","quenched from 1250 C, held for 10m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al1.931 Ni O4 -","- Al1.931 Ni O4 -","- Al15.448 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1250 C, held for 10m, ""1300"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006034","8.0463","","8.0463","","8.0463","","90","","90","","90","","520.941","","","","","","","","","","quenched from 800 C, held for 11d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, ""600"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006035","8.0476","","8.0476","","8.0476","","90","","90","","90","","521.194","","","","","","","","","","quenched from 900 C, held for 10d","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 900 C, held for 10d, ""600"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006036","8.0501","","8.0501","","8.0501","","90","","90","","90","","521.68","","","","","","","","","","quenched from 1050 C, held for 35m","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1050 C, held for 35m, ""600"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006037","8.0497","","8.0497","","8.0497","","90","","90","","90","","521.602","","","","","","","","","","quenched from 950 C, held for 4h","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 950 C, held for 4h, ""flux"", MoKalpha1 at the Bayerisches Geoinstitut","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006038","8.068","","8.068","","8.068","","90","","90","","90","","525.167","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: a summary of the models for the 1250 C, held for 10m, Mo data not corrected","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006039","8.0689","","8.0689","","8.0689","","90","","90","","90","","525.343","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: a summary of the models for the 1250 C, held for 10m, Mo data background subtracted","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006040","8.0529","","8.0529","","8.0529","","90","","90","","90","","522.224","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: a summary of the models for the 1250 C, held for 10m, Cu data not corrected","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006041","8.0529","","8.0529","","8.0529","","90","","90","","90","","522.224","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Ni O4 -","- Al2 Ni O4 -","- Al16 Ni8 O32 -","8","0.0416667","","O'Neill H St C; Dollase, W. A.; Ross, C. R.","Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: a summary of the models for the 1250 C, held for 10m, Cu data background subtracted","Physics and Chemistry of Minerals","1991","18","","302","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006042","4.262","","4.262","","4.262","","90","","90","","90","","77.418","","","","573.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 300 deg C, P = .00 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006043","4.1664","","4.1664","","4.1664","","90","","90","","90","","72.324","","","","573.15","","","","12190000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 300 deg C, P = 12.19 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006044","4.2064","","4.2064","","4.2064","","90","","90","","90","","74.427","","","","756.15","","","","7430000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 483 deg C, P = 7.43 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006045","4.1918","","4.1918","","4.1918","","90","","90","","90","","73.655","","","","756.15","","","","9320000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 483 deg C, P = 9.32 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006046","4.1716","","4.1716","","4.1716","","90","","90","","90","","72.595","","","","756.15","","","","12500000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 483 deg C, P = 12.50 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006047","4.2002","","4.2002","","4.2002","","90","","90","","90","","74.099","","","","863.15","","","","9150000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 590 deg C, P = 9.15 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006048","4.1952","","4.1952","","4.1952","","90","","90","","90","","73.834","","","","866.15","","","","9710000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 593 deg C, P = 9.71 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006049","4.1813","","4.1813","","4.1813","","90","","90","","90","","73.103","","","","866.15","","","","11790000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 593 deg C, P = 11.79 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006050","4.1378","","4.1378","","4.1378","","90","","90","","90","","70.845","","","","866.15","","","","18410000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 593 deg C, P = 18.41 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006051","4.1798","","4.1798","","4.1798","","90","","90","","90","","73.024","","","","973.15","","","","12250000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 700 deg C, P = 12.25 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006052","4.1723","","4.1723","","4.1723","","90","","90","","90","","72.632","","","","873.15","","","","13250000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 600 deg C, P = 13.25 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006053","4.0945","","4.0945","","4.0945","","90","","90","","90","","68.644","","","","773.15","","","","24970000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 500 deg C, P = 24.97 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006054","4.1718","","4.1718","","4.1718","","90","","90","","90","","72.606","","","","923.15","","","","12400000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 650 deg C, P = 12.40 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006055","4.1664","","4.1664","","4.1664","","90","","90","","90","","72.324","","","","873.15","","","","14420000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 600 deg C, P = 14.42 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006056","4.1574","","4.1574","","4.1574","","90","","90","","90","","71.856","","","","873.15","","","","15380000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 600 deg C, P = 15.38 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006057","4.1626","","4.1626","","4.1626","","90","","90","","90","","72.126","","","","923.15","","","","14860000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 650 deg C, P = 14.86 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006058","4.1847","","4.1847","","4.1847","","90","","90","","90","","73.281","","","","973.15","","","","12190000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 700 deg C, P = 12.19 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006059","4.1858","","4.1858","","4.1858","","90","","90","","90","","73.339","","","","1010.15","","","","12330000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 737 deg C, P = 12.33 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006060","4.1786","","4.1786","","4.1786","","90","","90","","90","","72.961","","","","1000.15","","","","13160000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 727 deg C, P = 13.16 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006061","4.1596","","4.1596","","4.1596","","90","","90","","90","","71.971","","","","946.15","","","","15540000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 673 deg C, P = 15.54 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006062","4.1192","","4.1192","","4.1192","","90","","90","","90","","69.894","","","","873.15","","","","21390000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 600 deg C, P = 21.39 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006063","4.0702","","4.0702","","4.0702","","90","","90","","90","","67.429","","","","816.15","","","","30090000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 543 deg C, P = 30.09 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006064","4.0738","","4.0738","","4.0738","","90","","90","","90","","67.608","","","","838.15","","","","29610000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 565 deg C, P = 29.61 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006065","4.0764","","4.0764","","4.0764","","90","","90","","90","","67.738","","","","858.15","","","","28880000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 585 deg C, P = 28.88 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006066","4.0857","","4.0857","","4.0857","","90","","90","","90","","68.202","","","","873.15","","","","27250000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 600 deg C, P = 27.25 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006067","4.092","","4.092","","4.092","","90","","90","","90","","68.518","","","","901.15","","","","26160000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 628 deg C, P = 26.16 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006068","4.1007","","4.1007","","4.1007","","90","","90","","90","","68.956","","","","927.15","","","","24600000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 654 deg C, P = 24.60 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006069","4.1365","","4.1365","","4.1365","","90","","90","","90","","70.778","","","","1018.15","","","","19630000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 745 deg C, P = 19.63 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006070","4.1778","","4.1778","","4.1778","","90","","90","","90","","72.919","","","","1041.15","","","","13420000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 768 deg C, P = 13.42 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006071","4.1693","","4.1693","","4.1693","","90","","90","","90","","72.475","","","","1020.15","","","","14540000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 747 deg C, P = 14.54 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006072","4.1631","","4.1631","","4.1631","","90","","90","","90","","72.152","","","","999.15","","","","15170000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 726 deg C, P = 15.17 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006073","4.1574","","4.1574","","4.1574","","90","","90","","90","","71.856","","","","973.15","","","","15990000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 700 deg C, P = 15.99 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006074","4.15","","4.15","","4.15","","90","","90","","90","","71.473","","","","949.15","","","","16660000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 676 deg C, P = 16.66 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006075","4.1452","","4.1452","","4.1452","","90","","90","","90","","71.226","","","","931.15","","","","17230000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 658 deg C, P = 17.23 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006076","4.1358","","4.1358","","4.1358","","90","","90","","90","","70.742","","","","901.15","","","","18580000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 628 deg C, P = 18.58 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006077","4.125","","4.125","","4.125","","90","","90","","90","","70.189","","","","873.15","","","","20400000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 600 deg C, P = 20.40 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006078","4.1157","","4.1157","","4.1157","","90","","90","","90","","69.716","","","","848.15","","","","21790000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 575 deg C, P = 21.79 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006079","4.108","","4.108","","4.108","","90","","90","","90","","69.325","","","","823.15","","","","23610000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 550 deg C, P = 23.61 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006080","4.0929","","4.0929","","4.0929","","90","","90","","90","","68.564","","","","801.15","","","","25470000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 528 deg C, P = 25.47 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006081","4.1354","","4.1354","","4.1354","","90","","90","","90","","70.722","","","","873.15","","","","18730000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 600 deg C, P = 18.73 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006082","4.1348","","4.1348","","4.1348","","90","","90","","90","","70.691","","","","848.15","","","","18780000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 575 deg C, P = 18.78 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006083","4.1331","","4.1331","","4.1331","","90","","90","","90","","70.604","","","","823.15","","","","18750000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 550 deg C, P = 18.75 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006084","4.1332","","4.1332","","4.1332","","90","","90","","90","","70.609","","","","801.15","","","","18620000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 528 deg C, P = 18.62 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006085","4.1312","","4.1312","","4.1312","","90","","90","","90","","70.506","","","","773.15","","","","18680000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 500 deg C, P = 18.68 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006086","4.1299","","4.1299","","4.1299","","90","","90","","90","","70.44","","","","746.15","","","","18880000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 473 deg C, P = 18.88 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006087","4.1292","","4.1292","","4.1292","","90","","90","","90","","70.404","","","","720.15","","","","18720000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 447 deg C, P = 18.72 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006088","4.1283","","4.1283","","4.1283","","90","","90","","90","","70.358","","","","700.15","","","","18970000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 427 deg C, P = 18.97 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006089","4.1284","","4.1284","","4.1284","","90","","90","","90","","70.363","","","","670.15","","","","18770000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 397 deg C, P = 18.77 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006090","4.126","","4.126","","4.126","","90","","90","","90","","70.241","","","","646.15","","","","19250000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 373 deg C, P = 19.25 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006091","4.123","","4.123","","4.123","","90","","90","","90","","70.087","","","","621.15","","","","19550000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 348 deg C, P = 19.55 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006092","4.1195","","4.1195","","4.1195","","90","","90","","90","","69.909","","","","596.15","","","","19750000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 323 deg C, P = 19.75 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006093","4.1194","","4.1194","","4.1194","","90","","90","","90","","69.904","","","","583.15","","","","19780000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 310 deg C, P = 19.78 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006094","4.1322","","4.1322","","4.1322","","90","","90","","90","","70.558","","","","675.15","","","","18170000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 402 deg C, P = 18.17 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006095","4.1373","","4.1373","","4.1373","","90","","90","","90","","70.819","","","","821.15","","","","18080000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 548 deg C, P = 18.08 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006096","4.1049","","4.1049","","4.1049","","90","","90","","90","","69.168","","","","701.15","","","","22790000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 428 deg C, P = 22.79 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006097","4.0792","","4.0792","","4.0792","","90","","90","","90","","67.877","","","","626.15","","","","27340000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 353 deg C, P = 27.34 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006098","4.0893","","4.0893","","4.0893","","90","","90","","90","","68.383","","","","681.15","","","","25760000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 408 deg C, P = 25.76 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006099","4.0956","","4.0956","","4.0956","","90","","90","","90","","68.699","","","","708.15","","","","24540000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 435 deg C, P = 24.54 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006100","4.1006","","4.1006","","4.1006","","90","","90","","90","","68.951","","","","731.15","","","","23820000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 458 deg C, P = 23.82 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006101","4.111","","4.111","","4.111","","90","","90","","90","","69.477","","","","769.15","","","","22220000","","","","","3","F m -3 m","-F 4 2 3","225","","","Magnesiowuestite","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 496 deg C, P = 22.22 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006102","4.1159","","4.1159","","4.1159","","90","","90","","90","","69.726","","","","806.15","","","","21450000","","","","","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.4 Mg0.6 O -","- Fe0.4 Mg0.6 O -","- Fe1.6 Mg2.4 O4 -","4","0.0208333","","Fei, Y.; Mao, H. K.; Shu, J. F.; Hu, J.","P-V-T equation of state of magnesiowustite (Mg0.6Fe0.4)O Sample: T = 533 deg C, P = 21.45 GPa rocksalt structure","Physics and Chemistry of Minerals","1992","18","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:44",""
"9006104","9.434","","5.452","","18.136","","90","","101.42","","90","","914.342","","","","","","","","100","","","","","6","C 1 2/c 1","-C 2yc","15","","","Magnesiochloritoid","- Al2 Fe0.35 H2 Mg0.65 O7 Si -","- Al2 Fe0.35 H2 Mg0.65 O7 Si -","- Al16 Fe2.8 H16 Mg5.2 O56 Si8 -","8","1","","Comodi, P.; Mellini, M.; Zanazzi, P. F.","Magnesiochloritoid: compressibility and high pressure structure refinement Sample: WRS (whole reciprocal space), P = 0.001 kbar","Physics and Chemistry of Minerals","1992","18","","483","490","10.1007/BF00205262","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006105","9.434","","5.452","","18.136","","90","","101.42","","90","","914.342","","","","","","","","100","","","","","6","C 1 2/c 1","-C 2yc","15","","","Magnesiochloritoid","- Al2 Fe0.35 H2 Mg0.65 O7 Si -","- Al2 Fe0.35 Mg0.65 O7 Si -","- Al16 Fe2.8 Mg5.2 O56 Si8 -","8","1","","Comodi, P.; Mellini, M.; Zanazzi, P. F.","Magnesiochloritoid: compressibility and high pressure structure refinement Sample: LRS (limited reciprocal space), P = 0.001 kbar","Physics and Chemistry of Minerals","1992","18","","483","490","10.1007/BF00205262","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9006106","9.367","","5.419","","17.96","","90","","101.4","","90","","893.66","","","","","","","","3400000","","","","","6","C 1 2/c 1","-C 2yc","15","","","Magnesiochloritoid","- Al2 Fe0.35 H2 Mg0.65 O7 Si -","- Al2 Fe0.35 Mg0.65 O7 Si -","- Al16 Fe2.8 Mg5.2 O56 Si8 -","8","1","","Comodi, P.; Mellini, M.; Zanazzi, P. F.","Magnesiochloritoid: compressibility and high pressure structure refinement Sample: P = 34 kbar","Physics and Chemistry of Minerals","1992","18","","483","490","10.1007/BF00205262","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:01",""
"9007485","5.145","","5.2075","","5.3107","","90","","99.23","","90","","140.445","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Smith, D. K.; Newkirk, H. W.","The crystal structure of baddeleyite (monoclinic ZrO2) and its relation to the polymorphism of ZrO2","Acta Crystallographica","1965","18","","983","991","10.1107/S0365110X65002402","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009568","7.9","","8","","7.62","","96.73","","95","","84.47","","474.636","","","","","","","","","","","","Tombstone, Arizona, USA","4","P -1","-P 1","2","","","Emmonsite","- Fe2 H2 O10 Te3 -","- Fe2 H2 O10 Te3 -","- Fe4 H4 O20 Te6 -","2","1","","Pertlik, F.","Der strukturtyp von emmonsit, {Fe2[TeO3]3*H2O}*xH2O (x=0-1)","Tschermaks Mineralogische und Petrographische Mitteilungen","1972","18","","157","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009569","27.254","","27.254","","27.254","","90","","90","","90","","20243.7","","","","","","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","Voltaite","- Al Fe8 H72 K2 O66 S12 -","- Al Fe8 H36 K2 O66 S12 -","- Al16 Fe128 H576 K32 O1056 S192 -","16","0.0833333","","Mereiter, K.","Die kristallstruktur des voltaits, K2Fe2+5Fe3+3Al[SO4]12*18H2O","Tschermaks Mineralogische und Petrographische Mitteilungen","1972","18","","185","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010734","9.7226","","18.28","","5.427","","90","","90","","90","","964.536","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Rhomboclase","- Fe H3.028 O12 S2 -","- Fe O12 S2 -","- Fe4 O48 S8 -","4","0.5","","Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.","Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 Locality: synthetic","European Journal of Mineralogy","2006","18","","175","186","10.1127/0935-1221/2006/0018-0175","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9010735","9.38749","","9.38749","","9.38749","","94.379","","94.379","","94.379","","819.634","","","","","","","","","","","","Wasson's Bluff, Two Islands, Nova Scotia, Canada","6","R -3 m :R","-P 3* 2","166","","","Chabazite-K","- Al3.48 Ca1.2 H70 K0.78 O35.16 Si8.52 -","- Al3.48 Ca1.2 H22.32 K0.78 O35.16 Si8.52 -","- Al3.48 Ca1.2 H22.32 K0.78 O35.16 Si8.52 -","1","0.0833333","","Gualtieri, A. F.; Passaglia, E.","Rietveld structure refinement of NH4-exchanged natural chabazite","European Journal of Mineralogy","2006","18","","351","359","10.1127/0935-1221/2006/0018-0351","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010736","9.41709","","9.41709","","9.41709","","94.678","","94.678","","94.678","","826.291","","","","","","","","","","","","Wasson's Bluff, Two Islands, Nova Scotia, Canada","7","R -3 m :R","-P 3* 2","166","","","NH4-Chabazite-K","- Al3.48 Ca0.05 H74 K0.05 N2 O33.66 Si8.52 -","- Al3.48 Ca0.05 H27.32 K0.05 N2 O33.66 Si8.52 -","- Al3.48 Ca0.05 H27.32 K0.05 N2 O33.66 Si8.52 -","1","0.0833333","","Gualtieri, A. F.; Passaglia, E.","Rietveld structure refinement of NH4-exchanged natural chabazite","European Journal of Mineralogy","2006","18","","351","359","10.1127/0935-1221/2006/0018-0351","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010737","5.337","","9.239","","10.237","","90","","100.03","","90","","497.057","","","","","","","","","","","","Cava St. Antonio, Mt. Vulture, Potenza, Italy","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.755 H1.421 K Mg2.245 O12 Si4 -","- Fe0.7547 H1.421 K1.0657 Mg2.2452 O12 Si4 -","- Fe1.5094 H2.842 K2.1314 Mg4.4904 O24 Si8 -","2","0.25","","Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-3","European Journal of Mineralogy","2006","18","","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010738","5.334","","9.24","","10.235","","90","","100.021","","90","","496.748","","","","","","","","","","","","Cava St. Antonio, Mt. Vulture, Potenza, Italy","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.752 H1.405 K Mg2.248 O12 Si4 -","- Fe0.7523 H1.4054 K1.0653 Mg2.2478 O12 Si4 -","- Fe1.5046 H2.8108 K2.1306 Mg4.4956 O24 Si8 -","2","0.25","","Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-5","European Journal of Mineralogy","2006","18","","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010739","5.337","","9.238","","10.228","","90","","100.05","","90","","496.536","","","","","","","","","","","","Cava St. Antonio, Mt. Vulture, Potenza, Italy","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.807 H1.361 K Mg2.191 O12 Si4 -","- Fe0.8073 H1.3612 K1.017 Mg2.1915 O12 Si4 -","- Fe1.6146 H2.7224 K2.034 Mg4.383 O24 Si8 -","2","0.25","","Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-9","European Journal of Mineralogy","2006","18","","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010740","5.336","","9.236","","10.223","","90","","100.058","","90","","496.08","","","","","","","","","","","","Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-51","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.826 H1.39 K Mg2.172 O12 Si4 -","- Fe0.8256 H1.3898 K1.0451 Mg2.1719 O12 Si4 -","- Fe1.6512 H2.7796 K2.0902 Mg4.3438 O24 Si8 -","2","0.25","","Scordari, Fernando; Ventruti, Gennaro; Sabato, Anna; Bellatreccia, Fabio; Della Ventura, Giancarlo; Pedrazzi, Giuseppe","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles","European Journal of Mineralogy","2006","18","3","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:51",""
"9010741","5.335","","9.242","","10.231","","90","","100.001","","90","","496.785","","","","","","","","","","","","Cava St. Antonio, Mt. Vulture, Potenza, Italy","6","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Fe0.802 H1.403 K Mg2.198 O12 Si4 -","- Fe0.8017 H1.403 K1.0091 Mg2.1976 O12 Si4 -","- Fe1.6034 H2.806 K2.0182 Mg4.3952 O24 Si8 -","2","0.25","","Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.","Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-52","European Journal of Mineralogy","2006","18","","379","391","10.1127/0935-1221/2006/0018-0379","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010742","8.7","","26.237","","8.774","","90","","119.653","","90","","1740.48","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","4","P 1 21/m 1","-P 2yb","11","","","Kirkiite","- As3 Bi2 Pb11 S19 -","- As3 Bi2 Pb11 S19 -","- As6 Bi4 Pb22 S38 -","2","0.5","","Pinto, D.; Balic-Zunic T; Garavelli, A.; Garbarino, C.; Makovicky, E.; Vurro, F.","First occurrence of close-to-ideal kirkiite at Vulcano (Aeolian Islands, Italy): chemical data and single-crystal X-ray study","European Journal of Mineralogy","2006","18","","393","401","10.1127/0935-1221/2006/0018-0393","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010743","11.897133","","11.90851","","6.78729","","90","","90","","90","","961.604","","","","2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Epsomite (deuterated)","- D14 Mg O11 S -","- D14 Mg O11 S -","- D56 Mg4 O44 S4 -","4","1","","Fortes, A. D.; Wood, I. G.; Alfredsson, M.; Vocadlo, L.; Knight, K. S.","The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron diffraction and ab initio calculation Locality: synthetic Sample: T = 2 K","European Journal of Mineralogy","2006","18","","449","462","10.1127/0935-1221/2006/0018-0449","","","","","","","","","","","","","","","","","","","","","has coordinates","303137","2025-11-01","16:23:45",""
"9010744","5.806","","12.923","","5.628","","90","","107.49","","90","","402.752","","","","","","","","","","","","Schneeberg, Saxony, Germany","6","P 1 21/c 1","-P 2ybc","14","","","Wendwilsonite","- As2 Ca2 Co0.1 H4 Mg0.9 O10 -","- As2 Ca2 Co0.1 H4 Mg0.9 O10 -","- As4 Ca4 Co0.2 H8 Mg1.8 O20 -","2","0.5","","Kolitsch, U.; Fleck, M.","Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: Schneeberg, Saxony, Germany","European Journal of Mineralogy","2006","18","","471","482","10.1127/0935-1221/2006/0018-0471","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010745","5.586","","6.054","","7.432","","110.74","","90.21","","117.34","","204.564","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","1","0.5","","Kolitsch, U.; Fleck, M.","Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: synthetic","European Journal of Mineralogy","2006","18","","471","482","10.1127/0935-1221/2006/0018-0471","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010746","7.272","","7.648","","7.772","","91.89","","99.72","","115.79","","380.839","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","","- Cr4 Cu H4 O16 Rb2 -","- Cr4 Cu H4 O16 Rb2 -","- Cr4 Cu H4 O16 Rb2 -","1","0.5","","Kolitsch, U.; Fleck, M.","Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: synthetic","European Journal of Mineralogy","2006","18","","471","482","10.1127/0935-1221/2006/0018-0471","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010747","7.462","","7.819","","7.847","","93.19","","99.57","","116.34","","400.23","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","","- Cr4 Cs2 Cu H4 O16 -","- Cr4 Cs2 Cu H4 O16 -","- Cr4 Cs2 Cu H4 O16 -","1","0.5","","Kolitsch, U.; Fleck, M.","Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: synthetic","European Journal of Mineralogy","2006","18","","471","482","10.1127/0935-1221/2006/0018-0471","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010748","9.871","","18.006","","5.314","","90","","105.37","","90","","910.715","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Fluoro-magnesiohastingsite","- Al2.19 Ca2.19 F2 Fe0.71 K0.21 Mg4.03 Na0.51 O22 Si5.94 Ti0.13 -","- Al2.19 Ca2.19 F2 Fe0.71 K0.21 Mg4.03 Na0.51 O22 Si5.94 Ti0.13 -","- Al4.38 Ca4.38 F4 Fe1.42 K0.42 Mg8.06 Na1.02 O44 Si11.88 Ti0.26 -","2","0.25","","Bojar, H. P.; Walter, F.","Fluoro-magnesiohastingsite from Dealul Uroi (Hunedoara county, Romania): Mineral data and crystal structure of a new amphibole end-member Locality: Dealul Uroi, Hunedoara county, Romania","European Journal of Mineralogy","2006","18","","503","508","10.1127/0935-1221/2006/0018-0503","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9010749","8.901","","5.738","","10.068","","90","","113.425","","90","","471.832","","","","","","","","","","","","Praborna manganese mine, Saint-Marcel, Aosta valley, Alps, Italy","14","P 1 21/m 1","-P 2yb","11","","","Manganiandrosite-(Ce)","- Al Ca0.42 Ce0.46 Fe0.23 H La0.23 Mg0.04 Mn2.23 Nd0.12 O13 Si3 Sm0.01 Sr0.07 Ti0.1 -","- Al Ca0.42 Ce0.46 Fe0.23 H La0.23 Mg0.04 Mn2.23 Nd0.12 O13 Si3 Sm0.01 Sr0.07 Ti0.1 -","- Al2 Ca0.84 Ce0.92 Fe0.46 H2 La0.46 Mg0.08 Mn4.46 Nd0.24 O26 Si6 Sm0.02 Sr0.14 Ti0.2 -","2","0.5","","Cenki-Tok B; Ragu, A.; Armbruster, T.; Chopin, C.; Medenbach, O.","New Mn- and rare-earth-rich epidote-group minerals in metacherts: manganiandrosite-(Ce) and vanadoandrosite-(Ce)","European Journal of Mineralogy","2006","18","","569","582","10.1127/0935-1221/2006/0018-0569","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010750","8.856","","5.729","","10.038","","90","","113.088","","90","","468.496","","","","","","","","","","","","Vielle Aure mining district, central Pyrenees, France","15","P 1 21/m 1","-P 2yb","11","","","Vanadoandrosite-(Ce)","- Al1.16 Ca0.59 Ce0.39 Fe0.33 H La0.15 Mg0.03 Mn0.98 Nd0.1 O13 Si3 Sm0.02 Sr0.11 Ti0.01 V1.11 -","- Al1.16 Ca0.59 Ce0.39 Fe0.33 H La0.15 Mg0.03 Mn0.98 Nd0.1 O13 Si3 Sm0.02 Sr0.11 Ti0.01 V1.11 -","- Al2.32 Ca1.18 Ce0.78 Fe0.66 H2 La0.3 Mg0.06 Mn1.96 Nd0.2 O26 Si6 Sm0.04 Sr0.22 Ti0.02 V2.22 -","2","0.5","","Cenki-Tok B; Ragu, A.; Armbruster, T.; Chopin, C.; Medenbach, O.","New Mn- and rare-earth-rich epidote-group minerals in metacherts: manganiandrosite-(Ce) and vanadoandrosite-(Ce)","European Journal of Mineralogy","2006","18","","569","582","10.1127/0935-1221/2006/0018-0569","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9010751","15.997","","15.997","","7.179","","90","","90","","120","","1591.01","","","","","","","","","","","","pegmatite at Grasstein, Trentino-South Tyrol, Italy","13","R 3 m :H","R 3 -2""","160","","","Schorl","- Al19.35 B9 F2.28 Fe6.75 H17.72 K0.03 Mg0.09 Mn0.36 Na2.34 O90.72 Si17.64 Ti0.09 Zn0.09 -","- Al19.35 B9 F2.28 Fe6.75 H9 K0.03 Mg0.09 Mn0.36 Na2.34 O90.72 Si17.64 Ti0.09 Zn0.09 -","- Al19.35 B9 F2.28 Fe6.75 H9 K0.03 Mg0.09 Mn0.36 Na2.34 O90.72 Si17.64 Ti0.09 Zn0.09 -","1","0.0555556","","Ertl, A.; Kolitsch, U.; Prowatke, S.; Dyar, M. D.; Henry, D. J.","The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal structure and chemistry Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy","European Journal of Mineralogy","2006","18","","583","588","10.1127/0935-1221/2006/0018-0583","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010752","13.338","","17.795","","5.265","","90","","105.46","","90","","1204.43","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","Maya Blue (deuterated)","","","- C0.48 H1.06 Al0.82 D5.01 Fe0.06 Mg1.12 N0.06 O15.06 Si4 -","- C0.48 H1.06 Al0.82 D5.01 Fe0.06 Mg1.12 N0.06 O15.06 Si4 -","- C1.92 H4.24 Al3.28 D20.04 Fe0.24 Mg4.48 N0.24 O60.24 Si16 -","4","0.5","","Giustetto, R.; Levy, D.; Chiari, G.","Crystal structure refinement of Maya Blue pigment prepared with deuterated indigo, using neutron powder diffraction Locality: starting palygorskite from Chapas, Mexico","European Journal of Mineralogy","2006","18","","629","640","10.1127/0935-1221/2006/0018-0629","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9010753","12.636","","17.868","","5.223","","90","","90","","90","","1179.25","","","","","","","","","","","","","9","P b m n","-P 2ab 2ab","53","Maya Blue","","","- C0.8 H1.1 Al0.82 D5.02 Fe0.06 Mg1.12 N0.1 O14.65 Si4 -","- C0.8 H1.1 Al0.82 D5.02 Fe0.06 Mg1.12 N0.1 O14.65 Si4 -","- C3.2 H4.4 Al3.28 D20.08 Fe0.24 Mg4.48 N0.4 O58.6 Si16 -","4","0.5","","Giustetto, R.; Levy, D.; Chiari, G.","Crystal structure refinement of Maya Blue pigment prepared with deuterated indigo, using neutron powder diffraction Locality: starting palygorskite from Chapas, Mexico","European Journal of Mineralogy","2006","18","","629","640","10.1127/0935-1221/2006/0018-0629","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9010754","4.7942","","10.35","","6.0436","","90","","90","","90","","299.883","","","","293.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 20 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010755","4.7961","","10.3557","","6.0479","","90","","90","","90","","300.381","","","","377.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 104 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010756","4.7996","","10.3652","","6.0543","","90","","90","","90","","301.194","","","","475.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 202 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010757","4.8043","","10.3779","","6.063","","90","","90","","90","","302.292","","","","579.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 306 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010758","4.8181","","10.4158","","6.0884","","90","","90","","90","","305.542","","","","874.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 601 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010759","4.8209","","10.423","","6.0927","","90","","90","","90","","306.147","","","","929.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 656 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010760","4.8231","","10.4296","","6.0963","","90","","90","","90","","306.662","","","","974.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 701 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010761","4.827","","10.4381","","6.1023","","90","","90","","90","","307.463","","","","1026.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-10, T = 753 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010762","4.8257","","10.4373","","6.1009","","90","","90","","90","","307.286","","","","1021.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 748 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010763","4.8291","","10.4433","","6.1058","","90","","90","","90","","307.926","","","","1077.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 804 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010764","4.8325","","10.4552","","6.1128","","90","","90","","90","","308.848","","","","1125.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 852 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010765","4.8358","","10.4636","","6.1176","","90","","90","","90","","309.55","","","","1180.15","","","","","","","","Boseti volcano, Ethiopia","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.935 Mg1.065 O4 Si -","- Fe0.9351 Mg1.0649 O4 Si -","- Fe3.7404 Mg4.2596 O16 Si4 -","4","0.5","","Heinemann, R.; Kroll, H.; Kirfel, A.; Barbier, B.","Order and anti-order in olivine I: structural response to temperature Sample: Bo-2, T = 907 C","European Journal of Mineralogy","2006","18","","673","689","10.1127/0935-1221/2006/0018-0673","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010766","5.277","","9.14","","9.78","","90","","101","","90","","463.04","","","","","","","","","","","","Garfield, Washington, USA","4","C 1 2/m 1","-C 2y","12","","","Nontronite","- Fe H O6 Si2 -","- Fe H O6 Si2 -","- Fe4 H4 O24 Si8 -","4","0.5","","Dainyak, L. G.; Zviagina, B. B.; Rusakov, V. S.; Drits, V. A.","Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations Locality: Garfield, Washington, USA Sample: tv structure","European Journal of Mineralogy","2006","18","","753","764","10.1127/0935-1221/2006/0018-0753","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010767","5.277","","9.14","","9.6","","90","","90","","90","","463.025","","","","","","","","","","","","Garfield, Washington, USA","4","P 1","P 1","1","","","Nontronite","- Fe2 Na0.41 O10.01 Si4 -","- Fe2 Na0.41 O10.01 Si4 -","- Fe4 Na0.82 O20.02 Si8 -","2","2","","Dainyak, L. G.; Zviagina, B. B.; Rusakov, V. S.; Drits, V. A.","Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations Locality: Garfield, Washington, USA Sample: Model 2","European Journal of Mineralogy","2006","18","6","753","764","10.1127/0935-1221/2006/0018-0753","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010768","15.2741","","15.2741","","43.334","","90","","90","","120","","8755.29","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- H6 Mn23.52 Na5.81 O72.48 P18 -","- H0.96 Mn23.52 Na5.81 O72.48 P18 -","- H5.76 Mn141.12 Na34.86 O434.88 P108 -","6","0.333333","","Keller, P.; Hatert, F.; Lissner, F.; Schleid, T.; Fransolet, A. M.","Hydrothermal synthesis and crystal structure of Na(NaMn)7Mn22(PO4)18*0.5H2O, a new compund of fillowite structure type","European Journal of Mineralogy","2006","18","","765","774","10.1127/0935-1221/2006/0018-0765","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010769","12.001","","12.396","","6.329","","90","","114.48","","90","","856.892","","","","","","","","","","","","Buranga pegmatite, Rwanda","8","P 1 21/n 1","-P 2yn","14","","","Rosemaryite","- Al0.785 Ca0.096 Fe1.182 Mg0.083 Mn1.113 Na0.511 O12 P3 -","- Al0.785 Ca0.096 Fe1.182 Mg0.083 Mn1.1135 Na0.511 O12 P3 -","- Al3.14 Ca0.384 Fe4.728 Mg0.332 Mn4.454 Na2.044 O48 P12 -","4","1","","Hatert, F.; Hermann, R. P.; Fransolet, A. M.; Long, G. J.; Grandjean, F.","A structural, infrared, and Mossbauer spectral study of rosemaryite, NdMnFe3+Al(PO4)3 Locality: Buranga pegmatite, Rwanda","European Journal of Mineralogy","2006","18","","775","785","10.1127/0935-1221/2006/0018-0775","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010770","12.0613","","9.3653","","3.1361","","90","","98.085","","90","","350.726","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Glaukosphaerite","- C H2 Cu1.5 Ni0.5 O5 -","- C H2 Cu1.5 Ni0.5 O5 -","- C4 H8 Cu6 Ni2 O20 -","4","1","","Perchiazzi, N.; Merlino, S.","The malachite-rosasite group: crystal structures of glaukosphaerite and pokrovskite","European Journal of Mineralogy","2006","18","","787","792","10.1127/0935-1221/2006/0018-0787","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010771","12.2396","","9.3506","","3.1578","","90","","96.445","","90","","359.119","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Pokrovskite","- C H2 Mg1.76 O5 -","- C H2 Mg1.76 O5 -","- C4 H8 Mg7.04 O20 -","4","1","","Perchiazzi, N.; Merlino, S.","The malachite-rosasite group: crystal structures of glaukosphaerite and pokrovskite","European Journal of Mineralogy","2006","18","","787","792","10.1127/0935-1221/2006/0018-0787","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010772","9.777","","7.358","","17.83","","90","","92.19","","90","","1281.74","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","Allanpringite","- Al0.25 Fe2.75 H15 O16 P2 -","- Al0.25 Fe2.75 H13 O16 P2 -","- Al Fe11 H52 O64 P8 -","4","1","","Kolitsch, U.; Bernhardt, H. J.; Lengauer, C. L.; Blass, G.; Tillmanns, E.","Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany, and its close relation to wavellite Locality: Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany","European Journal of Mineralogy","2006","18","","793","801","10.1127/0935-1221/2006/0018-0793","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010773","5.299","","16.133","","23.948","","90","","90","","90","","2047.29","","","","","","","","","","","","Pucher Richtschacht, Schneeberg, Saxony, Germany","6","P n c a","-P 2a 2n","60","","","Schlegelite","- As3 Bi7 Mo1.78 O24 P0.16 V0.06 -","- As3 Bi7 Mo1.78 O24 P0.16 V0.06 -","- As12 Bi28 Mo7.12 O96 P0.64 V0.24 -","4","0.5","","Krause, W.; Bernhardt, N. J.; Effenberger, H.","Schlegelite, Bi7O4(MoO4)2(AsO4)3, a new mineral from Schneeberg, Saxony, Germany","European Journal of Mineralogy","2006","18","","803","811","10.1127/0935-1221/2006/0018-0803","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010774","5.475","","16.865","","6.915","","90","","99.8","","90","","629.185","","","","","","","","","","","","El Guanaco Mine, Taltal, Chile","5","P 1 21/c 1","-P 2ybc","14","","","Guanacoite","- As2 Cu2.582 H12 Mg2.418 O16 -","- As2 Cu2.582 H12 Mg2.418 O16 -","- As4 Cu5.164 H24 Mg4.836 O32 -","2","0.5","","Witzke, T.; Kolitsch, U.; Krause, W.; Wiechowski, A.; Medenbach, O.; Kampf, A. R.; Steele, I. M.; Favreau, G.","Guanacoite, Cu2Mg2(Mg0.5Cu0.5)(OH)4(H2O)4(AsO4)2, a new arsenate mineral species from the El Guanaco Mine, near Taltal, Chile: Description and crystal structure Locality: El Guanaco Mine, Taltal, Chile","European Journal of Mineralogy","2006","18","","813","821","10.1127/0935-1221/2006/0018-0813","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011059","5.13","","10.82","","12.4","","90","","90","","90","","688.282","","","","","","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- O3 S -","- O3 S -","- O36 S12 -","12","3","","Pascard, R.; Pascard-Billy C","Structure precise de l'anhydride sulfurique","Acta Crystallographica","1965","18","","830","834","10.1107/S0365110X65002049","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011600","2.97","","2.97","","4.72","","90","","90","","120","","36.057","","","","","","","","","","","","synthetic, known as the alpha phase","1","P 63/m m c","-P 6c 2c","194","Titanium","","Titanium","- Ti -","- Ti -","- Ti4 -","4","0.166667","","Hull, A. W.","Crystal structure of titanium, zirconium, cerium, thorium and osmium","Physical Review","1921","18","","88","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011858","5.225","","9.058","","28.38","","90","","93.67","","90","","1340.42","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Sudoite","- Al4.17 H8 Mg1.95 O18 Si2.88 -","- Al4.17 H8 Mg1.95 O18 Si2.88 -","- Al16.68 H32 Mg7.8 O72 Si11.52 -","4","0.5","","Aleksandrova, V. A.; Drits, V. A.; Sokolova, G. V.","Crystal structure of ditrioctahedral chlorite","Soviet Physics Crystallography","1973","18","","50","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011859","14.18","","7.74","","13.7","","90","","90","","117","","1339.73","","","","","","","","","","","","","6","B 1 1 2/m","-B 2","12","","","Labuntsovite-Mn","- H17 K2.305 Na1.37 O32.425 Si8 Ti4.61 -","- H6.8504 K2.305 Na1.37 O32.4252 Si8 Ti4.61 -","- H13.7008 K4.61 Na2.74 O64.8504 Si16 Ti9.22 -","2","0.25","","Golovastikov, N. I.","Crystal structure of the alkali titanosilicate labuntsovite Sample: half-cell","Soviet Physics Crystallography","1974","18","","596","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9011860","8.34","","8.54","","10.74","","87.33","","94.5","","92","","761.381","","","","","","","","","","","","","2","P 1","P 1","1","","","Tochilinite","- Fe4 S5 -","- Fe4 S5 -","- Fe8 S10 -","2","2","","Organova, N. I.; Drits, V. A.; Dmitrik, A. L.","Structural study of tochilinite. II. Acicular variety: Unusual diffraction patterns Note: sulfide layer portion of structure only Note: corrections to Fe5 from ICSD","Soviet Physics Crystallography","1974","18","","606","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011861","8.37","","8.37","","21.6","","90","","90","","120","","1310.49","","","","","","","","","","","","Synthetic","2","P 3 m 1","P 3 -2""","156","","","Weissite","- Cu1.812 Te -","- Cu1.8125 Te -","- Cu43.5 Te24 -","24","4","","Baranova, R. V.; Avilov, A. S.; Pinsker, Z. G.","Determination of the crystal structure of the hexagonal phase betaIII in the copper-tellurium system by electron diffraction","Soviet Physics Crystallography","1974","18","","736","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011862","14.18","","15.48","","13.7","","90","","90","","117","","2679.47","","","","","","","","","","","","","7","B 1 1 2/m","-B 2","12","","","Labuntsovite-Mn","- H18 K4.61 Na2.736 Nb0.5 O64.836 Si16 Ti8.22 -","- H15.672 K4.61 Na2.736 Nb0.5 O64.836 Si16 Ti8.22 -","- H31.344 K9.22 Na5.472 Nb O129.672 Si32 Ti16.44 -","2","0.25","","Golovastikov, N. I.","Crystal structure of the alkali titanosilicate labuntsovite Sample: double cell","Soviet Physics Crystallography","1973","18","","950","955","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011893","20.78","","7.45","","12.05","","90","","117.1","","90","","1660.67","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","Sorensenite","- Be2 H4 Na4 O20 Si6 Sn -","- Be2 H4 Na4 O20 Si6 Sn -","- Be8 H16 Na16 O80 Si24 Sn4 -","4","1","","Maksimova, N. V.; Ilyukhin, V. V.; Belov, N. V.","Crystal structure of sorensenite","Soviet Physics Doklady","1974","18","","681","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012127","9.413","","11.522","","5.05","","90","","91.05","","90","","547.614","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","Lithiowodginite","- Li O8 Ta3 -","- Li O8 Ta3 -","- Li4 O32 Ta12 -","4","0.5","","Gatehouse, B. M.; Negas, T.; Roth, R. S.","The crystal structure of M-LiTa3O8 and its relationship to the mineral wodginite","Journal of Solid State Chemistry","1976","18","","1","7","10.1016/0022-4596(76)90072-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012499","3.3199","","10.3678","","4.3154","","90","","90","","90","","148.536","","","","1100","","","","1200000","","","","","1","C m c e","-C 2ac 2","64","","","Phosphorus","- P -","- P -","- P8 -","8","0.5","","Crichton, W. A.; Mezouar, M.; Monaco, G.; Falconi, S.","Phosphorus: new in situ powder data from large-volume apparatus Locality: synthetic Sample: at P = 1.2 GPa and T = 1100 K","Powder Diffraction","2003","18","","155","158","10.1154/1.1545115","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012506","9.115","","11.942","","14.428","","90","","90.77","","90","","1570.36","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 Cl2 N2 Zn -","- C14 H14 Cl2 N2 Zn -","- C56 H56 Cl8 N8 Zn4 -","4","0.5","","Marsh, R. E.; Schomaker, V.","Some incorrect space groups in Inorganic Chemistry, Volume 16","Inorganic Chemistry","1979","18","","2331","2336","10.1021/ic50198a064","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012507","10.048","","19.418","","9.735","","90","","95.83","","90","","1889.59","","","","","","","","","","","","Langban, Sweden","6","A 1 2/a 1","-A 2ya","15","","","Parwelite","- As Mg0.92 Mn4.08 O12 Sb Si -","- As Mg0.92 Mn4.08 O12 Sb Si -","- As8 Mg7.36 Mn32.64 O96 Sb8 Si8 -","8","1","","Marsh, R. E.; Schomaker, V.","Some incorrect space groups in Inorganic Chemistry, Volume 16","Inorganic Chemistry","1979","18","","2331","2336","10.1021/ic50198a064","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012508","12.46","","9.07","","7.52","","121.8","","123.4","","83.9","","582.41","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 Cd N5 S2 -","- C6 Cd N5 S2 -","- C12 Cd2 N10 S4 -","2","1","","Marsh, R. E.; Schomaker, V.","Some incorrect space groups in Inorganic Chemistry, Volume 16","Inorganic Chemistry","1979","18","","2331","2336","10.1021/ic50198a064","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012509","13.955","","6.855","","6.835","","90","","106.28","","90","","627.629","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Ca O6 -","- C3 H6 Ca O6 -","- C12 H24 Ca4 O24 -","4","0.5","","Marsh, R. E.; Schomaker, V.","Some incorrect space groups in Inorganic Chemistry, Volume 16","Inorganic Chemistry","1979","18","","2331","2336","10.1021/ic50198a064","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012510","7.85","","9.292","","6.148","","90","","90","","90","","448.449","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- H Mo Na O5 Zn -","- H Mo Na O5 Zn -","- H4 Mo4 Na4 O20 Zn4 -","4","0.5","","Marsh, R. E.; Schomaker, V.","Some incorrect space groups in Inorganic Chemistry, Volume 16","Inorganic Chemistry","1979","18","","2331","2336","10.1021/ic50198a064","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012530","6.6129","","5.5208","","3.5219","","90","","90","","90","","128.579","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Montroydite","- Hg O -","- Hg O -","- Hg4 O4 -","4","0.5","","Aurivillius, K.","Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI Locality: synthetic","Acta Chemica Scandinavica","1964","18","","1305","1306","10.3891/acta.chem.scand.18-1305","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""
"9012531","6.667","","6.667","","10.054","","90","","90","","120","","387.017","","","","","","","","","","","","Synthetic","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Hg2 I Na O2 -","- Hg2 I Na O2 -","- Hg6 I3 Na3 O6 -","3","0.25","","Aurivillius, K.","Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI Locality: synthetic","Acta Chemica Scandinavica","1964","18","","1305","1306","10.3891/acta.chem.scand.18-1305","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012532","8.843","","5.473","","4.835","","90","","90","","90","","234.003","","","","","","","","","","","","Synthetic","3","C m c 21","C 2c -2","36","","","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Idrestedt, I.; Brosset, C.","Structure of Si2N2O","Acta Chemica Scandinavica","1964","18","","1879","1886","10.3891/acta.chem.scand.18-1879","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013424","11.83","","4.09","","11.62","","90","","90","","90","","562.23","","","","","","","","","","","","Guanajuato, Mexico","2","P n m a","-P 2ac 2n","62","","","Guanajuatite","- Bi2 Se3 -","- Bi2 Se3 -","- Bi8 Se12 -","4","0.5","","Atabaeva, E. Y.; Mashkov, S. A.; Popova, S. V.","The crystal structure of a new modification of Bi2Se3-II","Kristallografiya","1973","18","","173","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014797","9.05294","","9.05294","","9.05294","","90","","90","","90","","741.94","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","Kieftite","- Co4 In0.2 Sb12 -","- Co4 In0.2 Sb12 -","- Co8 In0.4 Sb24 -","2","0.0416667","","He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.","Thermoelectric properties of indium-filled skutterudites","Chemistry of Materials","2006","18","","759","762","10.1021/cm052055b","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014933","7.8498","","7.8498","","5.7452","","90","","90","","90","","354.016","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.5","","Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.","Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 10.5 GPa, this is denoted as Phase III","Journal of Physics: Condensed Matter","2006","18","","S1021","S1037","10.1088/0953-8984/18/25/S09","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014939","16.549","","10.053","","24.618","","90","","106.55","","90","","3925.95","","","","","","","","","","","","Rapid Creek, Yukon, Canada","8","C 1 c 1","C -2yc","9","","","Arrojadite-(KNa)","- Al Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12 -","- Al Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12 -","- Al4 Ca3.936 Fe42.16 K3.608 Mg9.84 Na19.432 O200 P48 -","4","1","","Steele, I. M.","Arrojadite: variations in space group and composition based on four new refinements Sample: red06ye","General Meeting of the International Mineralogical Association","2002","18","","MO2","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015151","16.531","","10.004","","24.644","","90","","105.943","","90","","3918.77","","","","","","","","","","","","Palermo No. 1 mine, Groton, New Hampshire, USA","10","C 1 c 1","C -2yc","9","","","Arrojadite-(KNa)","- Al Ba0.06 Ca0.23 Fe11.69 K0.68 Mg1.85 Na4.459 O50 P12 Sr0.23 -","- Al Ba0.06 Ca0.23 Fe11.69 K0.68 Mg1.85 Na4.459 O50 P12 Sr0.23 -","- Al4 Ba0.24 Ca0.92 Fe46.76 K2.72 Mg7.4 Na17.836 O200 P48 Sr0.92 -","4","1","","Steele, I. M.","Arrojadite: variations in space group and composition based on four new refinements Sample: arropala","General Meeting of the International Mineralogical Association","2002","18","","MO2","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015159","7.24","","6.46","","12.38","","90","","99.5","","90","","571.077","","","","","","","","","","","","Majuba Hill, Nevada, USA","4","P 1 21/c 1","-P 2ybc","14","","","Clinoclase","- As Cu3 H3 O7 -","- As Cu3 H3 O7 -","- As4 Cu12 H12 O28 -","4","1","","Ghose, S.; Fehlmann, M.; Sundaralingam, M.","The crystal structure of clinoclase, Cu3AsO4(OH)3","Acta Crystallographica","1965","18","","777","787","10.1107/S0365110X65001779","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015344","8.5758","","8.5758","","5.8983","","90","","90","","90","","433.787","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.25","","Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.","Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa","Journal of Physics: Condensed Matter","2006","18","","S1021","S1037","10.1088/0953-8984/18/25/S09","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015466","16.506","","10.036","","24.723","","90","","105.67","","90","","3943.25","","","","","","","","","","","","Nickel Plate mine, South Dakota, USA","9","C 1 2/c 1","-C 2yc","15","","","Fluorarrojadite-(KFe)","- Al Ca1.168 F2 Fe12.26 K0.908 Mg2.52 Na3.152 O48 P11.916 -","- Al Ca1.168 F2 Fe12.26 K0.908 Mg2.52 Na3.152 O48 P11.916 -","- Al4 Ca4.672 F8 Fe49.04 K3.632 Mg10.08 Na12.608 O192 P47.664 -","4","0.5","","Steele, I. M.","Arrojadite: variations in space group and composition based on four new refinements Sample: arronpc","General Meeting of the International Mineralogical Association","2002","18","","MO2","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015722","16.459","","10.018","","24.597","","90","","105.78","","90","","3902.86","","","","","","","","","","","","Chandler Mills quarry, Newport, New Hampshire, USA","11","C 1 2/c 1","-C 2yc","15","","","Fluorarrojadite-(KFe)","- Al Ca0.84 F2 Fe10.52 K0.83 Mg3.48 Na3.106 O48 P11.74 Pb0.17 Sr0.16 -","- Al Ca0.84 F2 Fe10.52 K0.83 Mg3.48 Na3.106 O48 P11.74 Pb0.17 Sr0.16 -","- Al4 Ca3.36 F8 Fe42.08 K3.32 Mg13.92 Na12.424 O192 P46.96 Pb0.68 Sr0.64 -","4","0.5","","Steele, I. M.","Arrojadite: variations in space group and composition based on four new refinements Sample: arro135C","General Meeting of the International Mineralogical Association","2002","18","","MO2","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016301","5.7792","","8.3134","","8.4545","","90","","91.879","","90","","405.976","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","1","","Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.","Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 4.2 GPa, this is denoted as Phase II","Journal of Physics: Condensed Matter","2006","18","","S1021","S1037","10.1088/0953-8984/18/25/S09","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017481","14.364","","4.025","","9.889","","90","","95.14","","90","","569.434","","","","","","","","","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Kalgoorlieite","- As2 Te3 -","- As2 Te3 -","- As8 Te12 -","4","0.5","","Kanischeva, A. S.; Mikhailov, Y. N.; Chernov, A. P.","Crystal structure of arsenic telluride As2Te3","Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy","1982","18","","949","952","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""